SCHEMBL27622162

SCHEMBL27622162

C[C](C)Cc1ccccc1C1(O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.40
OPRM1 P35372 16/20 0.40
OPRD1 P41143 16/20 0.40
OPRK1 P41145 16/20 0.40
HDAC4 P56524 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1408833 0.81 HDAC4 (0.44) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL15529338 0.78 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL29262368 0.77 HDAC4 (0.43) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL28854800 0.76 AKR1B1 (0.47) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL28444682 0.74 OPRL1 (0.56) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL1493256 0.72 KMT2A (0.42) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL19205451 0.72 ALDH1A1 (0.43) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL28994161 0.71 OPRM1 (0.56) OPRL1OPRM1OPRD1OPRK1HDAC4
SCHEMBL21587746 0.69 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL17353520 0.69 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1HDAC4

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
CN-1662241-A Use of cyclic thiocarbamate derivatives in the treatment of hormone-related disorders WYETH CORP (US) 2005-08-31 CN disclosed