SCHEMBL6446600

SCHEMBL6446600

CCC(C)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 3/20 0.44
GMNN O75496 1/20 0.44
GABBR2 O75899 1/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL3278782 0.93 ALDH1A1 (0.49) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL28848452 0.77 GAA (0.36) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL3125775 0.76 GAA (0.47) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL697947 0.74 ALDH1A1 (0.33) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL3929483 0.74 CYP2D6 (0.35) KMT2ATSHRMEN1CYP1A2HIF1A
SCHEMBL10399005 0.72 ALDH1A1 (0.54) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL5710193 0.72 ALDH1A1 (0.54) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL29281276 0.70 ALDH1A1 (0.56) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL3860510 0.70 HMGCR (0.45) KMT2AALDH1A1TSHRMEN1CYP1A2
SCHEMBL1985480 0.70 ALDH1A1 (0.59) KMT2AALDH1A1TSHRMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839862-B1 Heat-aging-resistant polyamide resin composition and fiber comprising the same MITSUBISHI GAS CHEMICAL CO (JP) 2001-09-05 EP claimed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 EP disclosed
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 WO disclosed
EP-0719814-B1 A method for manufacturing polycarbonate GEN ELECTRIC (US) 2000-05-10 EP disclosed
EP-0719814-A2 A method for manufacturing polycarbonate GENERAL ELECTRIC COMPANY (US) 1996-07-03 EP disclosed