SCHEMBL6848489

SCHEMBL6848489

CC1CCC(C)(c2ccc(O)c(Cc3cc(C4(C)CCC(C)CC4)ccc3O)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HSPD1 P10809 1/20 0.37
HSPA5 P11021 1/20 0.37
IDO1 P14902 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6846057 0.82 ESR1 (0.45) HIF1AMEN1SLC22A1USP2LMNA
SCHEMBL27694968 0.74 ESR2 (0.52) MAPTHPGDCYP2C9CYP2C19ESR2
SCHEMBL6846058 0.72 ESR2 (0.55) HIF1AMEN1SLC22A1USP2LMNA
SCHEMBL4438908 0.71 CCR2 (0.43) MEN1LMNAMAPTHPGDHTT
SCHEMBL11476243 0.71 ESR1 (0.41) ALOX12ESR2ESR1OPRD1SLC6A4
SCHEMBL19114397 0.71 GABRA1 (0.47) MEN1LMNAMAPTHPGDHTT
SCHEMBL11372671 0.69 CETP (0.36) HSP90AA1ALOX12CETPESR2OPRD1
SCHEMBL4442529 0.69 MAOB (0.39) MAPTKMT2ASLC6A4SLC6A3
SCHEMBL10064891 0.68 ESR2 (0.49) MEN1KMT2APTPN1ESR2ESR1
SCHEMBL4444659 0.68 HRH3 (0.37) OPRD1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767949-B1 REDUCING AGENT COMPRISING PHOSPHORUS COMPOUND, SULFUR COMPOUND OR ETHYLENICALLY UNSATURATED CYCLIC COMPOUND; DISCOLORATION INHIBITION CIBA SPECIALTY CHEMICALS CORPORATION 2004-07-27 US disclosed
US-6028131-A Antioxidants containing phenol groups and aromatic amine groups CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-22 US disclosed