SCHEMBL8844181

SCHEMBL8844181

NC(=O)c1cccc(C(N)=O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
HPGD P15428 1/20 0.50
BCAT2 O15382 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALOX15 P16050 1/20 0.48
METAP2 P50579 1/20 0.46
GAA P10253 1/20 0.45
CTNNB1 P35222 1/20 0.45
G6PD P11413 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL462218 0.95 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL3908229 0.87 CA12 (0.64) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL27546897 0.87 MMP2 (0.53) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL7093585 0.86 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL6029766 0.85 TSHR (0.53) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL28008630 0.85 BCAT2 (0.42) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL28201204 0.85 PRNP (0.47) ALDH1A1TSHRKDM4EMAPTHSD17B10
Ammonia Solution, Strong SCHEMBL28098266 0.85 CA12 (0.61) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL6029391 0.85 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EMAPTHSD17B10
SCHEMBL10950165 0.85 ALB (0.52) ALDH1A1TSHRKDM4EMAPTHSD17B10

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
US-5626912-A FORMING FABRIC USED IN CARPETS, RUGS AND UPHOLSTERY DSM N.V. (NL) 1997-05-06 US disclosed
WO-1996032528-A1 TUFTED FABRICS DSM N.V. (NL) 1996-10-17 WO disclosed