SCHEMBL6889733

SCHEMBL6889733

C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.40
EPAS1 Q99814 4/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
ICMT O60725 1/20 0.39
GMNN O75496 1/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL28574014 0.95 HIF1A (0.43) HIF1AEPAS1TSHRCYP3A4ICMT
SCHEMBL28426287 0.88 ALOX15 (0.44) HIF1AEPAS1CYP3A4LMNAALOX15
SCHEMBL22283458 0.88 LMNA (0.41) HIF1AEPAS1TSHRCYP3A4LMNA
SCHEMBL447073 0.86 ALDH1A1 (0.46) HIF1AEPAS1TSHRCYP3A4POLB
SCHEMBL5604863 0.86 CYP1A2 (0.44) HIF1AEPAS1TSHRCYP3A4LMNA
SCHEMBL309150 0.86 CYP1A2 (0.44) HIF1AEPAS1TSHRCYP3A4LMNA
SCHEMBL1867355 0.86 CYP1A2 (0.44) HIF1AEPAS1TSHRCYP3A4LMNA
SCHEMBL29483202 0.84 KDM4E (0.46) HIF1AEPAS1LMNACYP1A2POLB
SCHEMBL30096463 0.84 ADRB2 (0.41) HIF1AEPAS1TSHRCYP3A4GMNN
SCHEMBL30136443 0.84 CYP1A2 (0.35) HIF1AEPAS1TSHRCYP3A4ICMT

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
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-1373368-B1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE COMPOUNDS FIRMENICH & CIE (CH) 2013-02-27 EP disclosed
US-20040048754-A1 Compounds for a controlled release of active compounds FIRMENICH SA (CH) 2004-03-11 US disclosed
EP-1373368-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2004-01-02 EP disclosed
WO-2002077074-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2002-10-03 WO disclosed