SCHEMBL9225912

SCHEMBL9225912

COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.42
NOTUM Q6P988 1/20 0.42
HSD11B1 P28845 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11038736 0.90 TSHR (0.53) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL6553048 0.87 KMT2A (0.55) HSD17B2SMN1; SMN2MAPTCYP1A2KMT2A
SCHEMBL4807790 0.86 HTR4 (0.46) HSD17B2HSD11B1SMN1; SMN2MAPTTSHR
SCHEMBL6553052 0.86 MAPT (0.46) SMN1; SMN2MAPTTSHRCYP1A2CYP3A4
SCHEMBL4809444 0.83 ALDH1A1 (0.56) HSD11B1SMN1; SMN2MAPTCYP3A4KDM4E
SCHEMBL9228976 0.82 MAPT (0.38) HSD17B2SMN1; SMN2MAPTTSHRCYP1A2
SCHEMBL4510376 0.81 G6PD (0.51) HSD17B2SMN1; SMN2MAPTTSHRCYP1A2
SCHEMBL1231155 0.81 ALDH1A1 (0.46) SMN1; SMN2MAPTKMT2APOLB
SCHEMBL3867866 0.81 ALDH1A1 (0.45) SMN1; SMN2MAPTKMT2AKDM4EPOLB
SCHEMBL29644945 0.80 KMT2A (0.37) SMN1; SMN2TSHRMAPK1KMT2AKDM4E

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
US-5399714-A Process for the preparation of substituted indoles CIBA-GEIGY CORPORATION (US) 1995-03-21 US disclosed
US-5359083-A Process for the preparation of substituted indoles CIBA-GEIGY CORPORATION (US) 1994-10-25 US disclosed
US-5248693-A Antiallergens, antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1993-09-28 US disclosed