SCHEMBL6949649

SCHEMBL6949649

CC(C)(COc1ccc(Cl)cc1)C(=O)Cn1cncn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MAP4K4 O95819 1/20 0.43
SSTR4 P31391 1/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10680117 0.88 MAPT (0.46) MAPTHTTTSHRCYP3A4POLB
SCHEMBL11005017 0.88 MAPT (0.41) MAPTCYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL11350755 0.84 CYP3A4 (0.48) MAPTHTTTSHRCYP3A4POLB
SCHEMBL10390727 0.84 TSHR (0.52) MAPTHTTTSHRCYP3A4POLB
SCHEMBL11357363 0.83 MAPT (0.46) MAPTHTTTSHRCYP3A4POLB
SCHEMBL9871573 0.81 CYP3A4 (0.52) MAPTHTTTSHRCYP3A4POLB
SCHEMBL8848381 0.81 ALDH1A1 (0.49) MAPTHTTTSHRCYP3A4POLB
SCHEMBL988814 0.80 MAP4K4 (0.46) MAPTTSHRCYP3A4POLBMAP4K4
SCHEMBL11535584 0.79 CYP3A4 (0.52) MAPTHTTTSHRCYP3A4POLB
SCHEMBL11444256 0.79 CYP3A4 (0.52) MAPTHTTTSHRCYP3A4POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
US-4549900-A PLANT GROWTH REGULATOR BAYER AKTIENGESELLSCHAFT (DE) 1985-10-29 US claimed
EP-2482648-A1 OIL BORNE WOOD PRESERVING COMPOSITION FOR TREATMENT OF POLES, POSTS, PILING, CROSS-TIES AND OTHER WOODED STRUCTURES Osmose Holdings, Inc. (US) 2012-08-08 EP disclosed
EP-0901478-B1 THIOCYANO-TRIAZOLYL DERIVATIVES AND THEIR USE AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-13 EP disclosed
EP-1148784-A1 WEED CONTROL AVENTIS AGRICULTURE LTD. (GB) 2001-10-31 EP disclosed
WO-2000045637-A1 WEED CONTROL AVENTIS AGRICULTURE LIMITED (GB) 2000-08-10 WO disclosed
US-6069161-A TREATING THE INDUSTRIAL MATERIAL WITH AMINOISOTHIAZOLE MICROBIOCIDE BASF AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed
WO-1996035690-A1 PYRAZOLO-(1,5a)-PYRIMIDINES, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-14 WO disclosed
US-4904297-A Combating fungi with substituted 1-azolyl-butan-2-ones and -2-ols BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4898875-A FUNGICIDES, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed
EP-0083750-B1 ANTIMYCOTIC AZOLYL BUTANOLS BAYER AG (DE) 1985-08-07 EP disclosed
EP-0121284-A2 (+)-Triazolylpentenol derivative, its production and use as herbicide and/or plant growth regulant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-10 EP disclosed
EP-0057864-B1 2-AZOLYLMETHYL-1,3-DIOXOLANE AND DIOXANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES BAYER AG (DE) 1984-10-03 EP disclosed
US-4472395-A PLANT SAFENING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-09-18 US disclosed
EP-0055833-B1 SUBSTITUTED 1-AZOLYL-2-OL BUTANES, THEIR PREPARATION AND THEIR APPLICATION AS PLANT PROTECTION AGENTS AND AS INTERMEDIATES BAYER AG (DE) 1984-08-15 EP disclosed
EP-0083750-A1 Antimycotic azolyl butanols BAYER AG (DE) 1983-07-20 EP disclosed
EP-0057864-A2 2-Azolylmethyl-1,3-dioxolane and dioxane derivatives, process for their preparation and their application as fungicides BAYER AG (DE) 1982-08-18 EP disclosed
EP-0055833-A1 Substituted 1-azolyl-2-ol butanes, their preparation and their application as plant protection agents and as intermediates BAYER AG (DE) 1982-07-14 EP disclosed
EP-0054865-A1 Substituted 1-azolyl-butan-2-ones, their preparation and their application as fungicides as well as intermediates BAYER AG (DE) 1982-06-30 EP disclosed