SCHEMBL8639656

SCHEMBL8639656

CCCCC[C@H]1CC[C@H](C2=CCC(O)(c3ccccc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.38
OPRM1 P35372 5/20 0.38
OPRK1 P41145 5/20 0.38
OPRD1 P41143 4/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
GAA P10253 2/20 0.33
S1PR1 P21453 3/20 0.33
SGPL1 O95470 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8639661 1.00 OPRL1 (0.38) OPRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL8638501 0.88 MEN1 (0.33) OPRL1OPRM1OPRK1MEN1KMT2A
SCHEMBL8638481 0.88 MEN1 (0.33) OPRL1OPRM1OPRK1MEN1KMT2A
SCHEMBL8638484 0.88 MEN1 (0.33) OPRL1OPRM1OPRK1MEN1KMT2A
SCHEMBL8638506 0.88 MEN1 (0.33) OPRL1OPRM1OPRK1MEN1KMT2A
SCHEMBL8641146 0.87 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL8641145 0.87 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL8640674 0.86 ALDH1A1 (0.36) OPRL1OPRM1OPRK1OPRD1MEN1
SCHEMBL8657325 0.86 OPRL1 (0.38) OPRL1OPRM1OPRK1MEN1KMT2A
SCHEMBL8657329 0.86 OPRL1 (0.38) OPRL1OPRM1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
US-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed