SCHEMBL4609866

SCHEMBL4609866

CCCCCC(CC)CCCS

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 4/20 0.44
TSHR P16473 3/20 0.44
OPRM1 P35372 1/20 0.44
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 1/20 0.35
ATM Q13315 1/20 0.34
ENPEP Q07075 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL1110056 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8885551 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL25751411 0.93 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1110043 0.93 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL8883429 0.93 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4608593 0.93 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL18256173 0.92 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1110032 0.90 ALDH1A1 (0.46) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL29311784 0.90 ALDH1A1 (0.52) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4610393 0.88 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021185829-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 WO disclosed
EP-1976505-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS Abraxis BioScience, Inc. (US) 2008-10-08 EP disclosed
WO-2007059118-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed