SCHEMBL4780301

SCHEMBL4780301

COc1ccc(CNC2CCC3(CC2)OCCO3)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.53
APLNR P35414 1/20 0.50
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TACR1 P25103 3/20 0.41

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
SCHEMBL29114695 0.84 TSHR (0.66) ALDH1A1TSHRAPLNRKMT2APDCD1
SCHEMBL18765477 0.83 PDCD1 (0.63) ALDH1A1TSHRAPLNRKMT2APDCD1
Hydrochloric Acid SCHEMBL31580079 0.83 TSHR (0.64) ALDH1A1TSHRAPLNRKMT2APDCD1
SCHEMBL31114359 0.82 TSHR (0.67) ALDH1A1TSHRAPLNRKMT2APOLB
SCHEMBL3919386 0.82 TSHR (0.71) ALDH1A1TSHRAPLNRKMT2APOLB
Hydrochloric Acid SCHEMBL11688129 0.79 TSHR (0.67) ALDH1A1TSHRAPLNRKMT2APOLB
SCHEMBL21603925 0.79 TSHR (0.56) ALDH1A1TSHRAPLNRKMT2APDCD1
SCHEMBL21603927 0.79 TSHR (0.56) ALDH1A1TSHRAPLNRKMT2APDCD1
SCHEMBL4618413 0.78 TSHR (0.59) ALDH1A1TSHRAPLNRKMT2APDCD1
SCHEMBL14207884 0.78 TSHR (0.59) ALDH1A1TSHRAPLNRKMT2APDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed