SCHEMBL9074622

SCHEMBL9074622

CC(C)C1CCC(C2CCC(c3cc(Br)c(O)c(Br)c3)(c3cc(Br)c(O)c(Br)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL9065670 0.91 ACHE (0.36) ACHEALDH1A1
SCHEMBL9066194 0.80 CYP2D6 (0.41) ACHEALDH1A1
SCHEMBL9074619 0.78 ACHE (0.33) ACHEALDH1A1
SCHEMBL9074536 0.77 ESR2 (0.47) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL9065939 0.77 ACHE (0.33) ACHEALDH1A1
SCHEMBL9075884 0.77 ACHE (0.36) ACHEALDH1A1
SCHEMBL9066283 0.76 ALDH1A1 (0.40) ACHEALDH1A1
SCHEMBL9066605 0.73 ACHE (0.54) ACHEALDH1A1
SCHEMBL2996266 0.73 ACHE (0.58) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL9075093 0.72 TSHR (0.40) ACHEALDH1A1

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
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-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed