SCHEMBL9066583

SCHEMBL9066583

Oc1ccc(C2(c3ccc(O)cc3)CC(C3CCCCC3)CC(C3CCCCC3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.50
ESR1 P03372 4/20 0.50
GRIN2B Q13224 2/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
STS P08842 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL13379648 0.85 ESR2 (0.54) ESR2ESR1KMT2ANPC1RAB9A
SCHEMBL9065902 0.84 ESR2 (0.58) ESR2ESR1GRIN2BKMT2AOPRM1
SCHEMBL11052718 0.82 ESR2 (0.52) ESR2ESR1GRIN2BKMT2AOPRM1
SCHEMBL13379646 0.82 ESR2 (0.52) ESR2ESR1GRIN2BKMT2AOPRM1
SCHEMBL9065421 0.81 ESR2 (0.64) ESR2ESR1KMT2AOPRM1EPHX1
SCHEMBL9437447 0.80 ESR2 (0.56) ESR2ESR1GRIN2BKMT2ANPC1
SCHEMBL10317542 0.79 ESR2 (0.71) ESR2ESR1OPRM1CYP2C9
SCHEMBL4457760 0.79 ESR2 (0.42) ESR2ESR1CYP2C9
Biphenyl SCHEMBL9340140 0.78 KMT2A (0.48) ESR2ESR1KMT2AOPRM1EPHX1
SCHEMBL13379659 0.78 ESR2 (0.45) ESR2ESR1KMT2ANPC1RAB9A

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-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5010163-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0374630-A2 Polycarbonates from cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed