SCHEMBL11467643

SCHEMBL11467643

CC1(C)CC(C)(C)CC(O)(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.47
OPRM1 P35372 11/20 0.47
OPRK1 P41145 9/20 0.47
GRIN2B Q13224 1/20 0.45
OPRD1 P41143 7/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH2 P25021 1/20 0.38
GPR183 P32249 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL34468465 0.83 OPRL1 (0.50) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL11368796 0.78 GRIN2B (0.46) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL6263031 0.78 GRIN2B (0.30) GRIN2B
SCHEMBL9754888 0.78 ALDH1A1 (0.43) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL4555715 0.77 GRIN2B (0.45) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL11470082 0.77 ESR1 (0.47) OPRL1OPRM1OPRK1OPRD1SMN1; SMN2
Hydrochloric Acid SCHEMBL4555247 0.75 SMN1; SMN2 (0.45) OPRL1OPRM1OPRK1GRIN2BOPRD1
SCHEMBL6139565 0.74 L3MBTL1 (0.40) GRIN2BKMT2ASMN1; SMN2POLB
SCHEMBL11475454 0.72 MEN1 (0.36) OPRL1OPRM1OPRK1GRIN2BMEN1
SCHEMBL7815717 0.72 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB

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
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed