SCHEMBL28249607

SCHEMBL28249607

CC1(C)CCOC(C)(c2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ICMT O60725 9/20 0.40
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1664714 0.79 TSHR (0.47) TSHRICMTGAACYP1A2OPRM1
SCHEMBL5616835 0.75 CYP1A2 (0.42) TSHRCYP1A2OPRM1OPRK1OPRL1
SCHEMBL14306895 0.75 CYP1A2 (0.42) TSHRCYP1A2OPRM1OPRK1OPRL1
SCHEMBL5571900 0.69 HSD11B1 (0.41) TSHRICMTGAACYP1A2OPRM1
SCHEMBL27728281 0.69 TSHR (0.54) TSHRICMTGAAMEN1KMT2A
SCHEMBL9315392 0.69 CHRNB2 (0.44) TSHRCYP1A2OPRM1OPRK1OPRL1
SCHEMBL9613286 0.69 TSHR (0.54) TSHRICMTGAAMEN1KMT2A
SCHEMBL24400590 0.68 ALDH1A1 (0.38) TSHRICMTGAACYP1A2OPRM1
SCHEMBL2360103 0.68 OPRM1 (0.41) TSHRICMTCYP1A2OPRM1OPRK1
SCHEMBL873359 0.67 CHRNB2 (0.41) TSHRGAACYP1A2OPRM1OPRK1

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-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN disclosed