SCHEMBL9525258

SCHEMBL9525258

COc1ccc(NC(=O)CCl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
POLB P06746 1/20 0.52
CASP2 P42575 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
P2RX7 Q99572 1/20 0.48

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
SCHEMBL9312983 0.90 ALDH1A1 (0.69) ALDH1A1CA12CA1CA2CA9
SCHEMBL30021051 0.88 TDP1 (0.61) ALDH1A1POLBCASP2SMN1; SMN2LMNA
SCHEMBL1494291 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL1494383 0.84 ALDH1A1 (0.56) ALDH1A1POLBCASP2SMN1; SMN2LMNA
SCHEMBL17536233 0.84 ALDH1A1 (0.67) ALDH1A1CA12CA1CA2CA9
SCHEMBL9312894 0.84 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA9
SCHEMBL30022962 0.82 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA9
SCHEMBL7035785 0.82 HSD17B1 (0.56) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL8802148 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL31554478 0.81 HPGD (0.56) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523046-A1 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1993-01-20 EP disclosed
US-5159085-A Antiinflammatory, antiallergens, cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-27 US disclosed
US-5021576-A Antiinflammatory, antiarthritic, hypotensive, anticarcinogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-04 US disclosed
WO-1991006539-A1 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO disclosed