SCHEMBL18263192

SCHEMBL18263192

C=C(c1cccc(C(=C)C2CC2)c1N(C(=O)O)[C@H](C)c1ccccc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
ALOX5 P09917 1/20 0.38
NOTUM Q6P988 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MTOR P42345 1/20 0.35
OPRM1 P35372 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL18263194 1.00 TRPM8 (0.38) TRPM8ALOX5NOTUMRECQLPOLB
SCHEMBL28392659 0.91 ALOX15 (0.37) TRPM8ALOX5NOTUMRECQLPOLB
SCHEMBL28171398 0.88 FFAR1 (0.33) TRPM8ALOX5NOTUMRECQLPOLB
SCHEMBL28171399 0.88 FFAR1 (0.33) TRPM8ALOX5NOTUMRECQLPOLB
SCHEMBL18263185 0.76 ALOX5 (0.46) TRPM8ALOX5RECQLALDH1A1KMT2A
SCHEMBL18263186 0.76 ALOX5 (0.46) TRPM8ALOX5RECQLALDH1A1KMT2A
SCHEMBL28338187 0.74 TRPM8 (0.39) TRPM8ALOX5NOTUMRECQLKMT2A
SCHEMBL28361461 0.71 LMNA (0.37) TRPM8ALOX5NOTUMKMT2ALMNA
SCHEMBL28364875 0.71 LMNA (0.37) TRPM8ALOX5NOTUMKMT2ALMNA
SCHEMBL28167397 0.71 LMNA (0.37) TRPM8ALOX5NOTUMKMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108416-B Preparation method of 1, 2-dicyclopropylethylphenol and optical isomer thereof 四川海思科制药有限公司 2019-12-20 CN disclosed
CN-107108416-A A kind of preparation method of 1,2 Bicyclopropyl ethyl -phenol and its optical isomer 四川海思科制药有限公司 2017-08-29 CN disclosed
WO-2016188490-A1 METHOD FOR PREPARING 1,2-DICYCLOPROPYLETHYLPHENOL AND OPTICAL ISOMER THEREOF 四川海思科制药有限公司 2016-12-01 WO disclosed