SCHEMBL27799008

SCHEMBL27799008

CC(C)(C)OC(=O)N1C2=CC=CCC2CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTRA1 Q92743 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
PREP P48147 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
NR1H2 P55055 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5846052 0.78 HTRA1 (0.35) CHRM2CHRM1CHRM3HTRA1GPR119
SCHEMBL1782809 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL7067153 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL13263378 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL7067155 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
Ethane SCHEMBL25434708 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL13293175 0.68 CHRM2 (0.37) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL17033095 0.67 CHRM2 (0.36) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL20337598 0.67 ITGB1 (0.45) CHRM2CHRM1CHRM3GPR119KDM4E
SCHEMBL20337597 0.67 ITGB1 (0.45) CHRM2CHRM1CHRM3GPR119KDM4E

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-101939444-A Process for production of optically active indoline-2-carboxylic acid or derivative thereof MITSUBISHI GAS CHEMICAL CO 2011-01-05 CN disclosed