SCHEMBL27728281

SCHEMBL27728281

CC1(C)CC(c2ccccc2)(c2ccccc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ICMT O60725 16/20 0.50
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9613286 0.81 TSHR (0.54) TSHRICMTGAAMEN1KMT2A
SCHEMBL13546073 0.75 TSHR (0.49) TSHRICMTGAAMEN1KMT2A
SCHEMBL13546083 0.72 ICMT (0.67) TSHRICMTMEN1KMT2A
SCHEMBL28249607 0.69 TSHR (0.43) TSHRICMTGAAMEN1KMT2A
SCHEMBL1414959 0.68 OPRM1 (0.46) MEN1KMT2A
SCHEMBL10956561 0.68 TSHR (0.41) TSHRICMTGAAMEN1KMT2A
SCHEMBL2360103 0.68 OPRM1 (0.41) TSHRICMTMEN1KMT2A
SCHEMBL14600731 0.67 OPRM1 (0.45) TSHRMEN1KMT2A
SCHEMBL8997996 0.67 HTR2A (0.42) TSHRMEN1KMT2A
SCHEMBL18662200 0.66 OPRM1 (0.52) MEN1KMT2A

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-101219984-A Amine salt compound of carboxylic acid having thermal dissociation portion and compounding agent for rubber vulcanization and rubber composition containing the same YOKOHAMA RUBBER CO LTD (JP) 2008-07-16 CN disclosed