SCHEMBL8077137

SCHEMBL8077137

COc1ccc(C(C)N2CCC2C(=O)OCc2ccccc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CCR3 P51677 1/20 0.40
ALDH1A1 P00352 2/20 0.39
P2RX7 Q99572 2/20 0.39
POLB P06746 2/20 0.39
FFAR1 O14842 2/20 0.38
GRIN2B Q13224 1/20 0.38
HSD11B1 P28845 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
TP53 P04637 1/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
TACR1 P25103 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7066523 0.90 ALDH1A1 (0.41) ALDH1A1P2RX7POLBFFAR1GRIN2B
SCHEMBL7067269 0.88 GPBAR1 (0.40) CCR3ALDH1A1P2RX7GRIN2BPPARG
SCHEMBL7066355 0.86 FKBP1A (0.47) ALDH1A1ACHE
SCHEMBL7065723 0.84 ALDH1A1 (0.46) CHRM2ALDH1A1POLBHSD11B1TDP1
SCHEMBL7068394 0.80 FKBP1A (0.51) CHRM2
SCHEMBL6231716 0.79 PKM (0.44) CHRM2ALDH1A1POLBHSD11B1
SCHEMBL7068098 0.79 PKM (0.44) CHRM2ALDH1A1POLBHSD11B1
SCHEMBL6233365 0.79 PKM (0.44) CHRM2ALDH1A1POLBHSD11B1
SCHEMBL7062141 0.79 FKBP1A (0.43)
SCHEMBL7066363 0.79 OPRM1 (0.44) CHRM2ALDH1A1HSD11B1OPRM1OPRD1

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-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed