SCHEMBL936498

SCHEMBL936498

Cc1cccc2[nH]cc(SCC(=O)O)c12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL936354 0.80 STAT3 (0.46) MAPTSTAT3GPR84POLB
SCHEMBL3396574 0.78 STAT3 (0.74) ALDH1A1MAPTSTAT3SMN1; SMN2CYP1A2
SCHEMBL1660158 0.76 CYP1A2 (0.61) ALDH1A1TDP1MAPTSMN1; SMN2CYP1A2
SCHEMBL936239 0.75 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2GPR84KDM4E
SCHEMBL935586 0.75 POLB (0.51) ALDH1A1MAPTGPR84KDM4EPOLB
SCHEMBL6287959 0.74 ALDH1A1 (0.69) ALDH1A1TDP1MAPTSMN1; SMN2GPR84
SCHEMBL935459 0.73 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2GPR84KMT2A
SCHEMBL936096 0.73 GPR84 (0.41) ALDH1A1MAPTSMN1; SMN2GPR84KDM4E
SCHEMBL936027 0.73 GPR84 (0.42) MAPTGPR84KMT2AKDM4EPOLB
SCHEMBL955533 0.73 GPR84 (0.41) ALDH1A1TDP1MAPTGPR84KMT2A

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
WO-2011010748-A1 INDOLE DERIVATIVE AND SALTINESS-STRENGTHENING AGENT CONTAINING THE DERIVATIVE 味の素株式会社 (JP) 2011-01-27 WO disclosed