SCHEMBL12760892

SCHEMBL12760892

Cc1ccc(C2(C)CC(C)(C)c3cc(O)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 3/20 0.35
CCR2 P41597 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 2/20 0.33
PKM P14618 1/20 0.33
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
OPRM1 P35372 6/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
OPRK1 P41145 3/20 0.32
OPRD1 P41143 2/20 0.32

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
SCHEMBL12760926 0.94 NR3C1 (0.39) NR3C1ACHEALDH1A1LMNACYP3A4
SCHEMBL728078 0.92 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL11156140 0.85 NR3C1 (0.40) NR3C1ALDH1A1LMNACYP3A4MAPT
SCHEMBL7996188 0.85 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL29459356 0.85 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL728580 0.85 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL7996227 0.85 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL13223997 0.84 PKM (0.41) NR3C1ACHEMAPTESR1ESR2
SCHEMBL15945518 0.81 FSHR (0.39) ACHEALDH1A1CYP3A4MAPTCCR2
SCHEMBL9174146 0.81 OPRD1 (0.43) NR3C1ACHEALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902316-B2 Derived from bisphenol-a; impact strength; engineering thermoplastics SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-03-08 US disclosed