SCHEMBL8643255

SCHEMBL8643255

CCC[C@H]1CC[C@H](C2=CCC(O)(c3cccc(F)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
OPRL1 P41146 7/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HSD11B1 P28845 1/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC9 Q9UKV0 4/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL8643261 1.00 HDAC4 (0.40) HDAC4OPRL1OPRM1OPRK1HSD11B1
SCHEMBL731291 0.81 HDAC4 (0.40) HDAC4OPRL1OPRM1OPRK1HSD11B1
SCHEMBL8636073 0.76 SLC6A3 (0.38) OPRL1OPRM1OPRK1
SCHEMBL8636069 0.76 SLC6A3 (0.38) OPRL1OPRM1OPRK1
SCHEMBL9849441 0.74 OPRL1 (0.35) HDAC4OPRL1OPRM1OPRK1LMNA
SCHEMBL9344143 0.73 HDAC4 (0.33) HDAC4OPRL1OPRM1OPRK1HSD11B1
SCHEMBL19171686 0.73 HDAC4 (0.39) HDAC4OPRL1OPRM1OPRK1HSD11B1
SCHEMBL731689 0.72 HDAC4 (0.35) HDAC4OPRL1OPRM1OPRK1CYP2C9
SCHEMBL8638484 0.72 MEN1 (0.33) OPRL1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL8638481 0.72 MEN1 (0.33) OPRL1OPRM1OPRK1ALDH1A1MAPT

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-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed