SCHEMBL9199688

SCHEMBL9199688

COc1ccccc1C(=O)Nc1cc(C(=O)O)c(Cl)c(C(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.65
KCNK9 Q9NPC2 6/20 0.65
S1PR1 P21453 1/20 0.53
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GRM5 P41594 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PNLIP P16233 1/20 0.48
KCNMA1 Q12791 1/20 0.48
HIF1A Q16665 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
SCHEMBL9203707 0.84 DHODH (0.56) KCNK3KCNK9KMT2ARAB9AALDH1A1
SCHEMBL9202946 0.83 KMT2A (0.51) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL9204465 0.83 F2R (0.52) KMT2AMAPTRAB9AALDH1A1POLB
SCHEMBL9199984 0.83 TDP1 (0.54) KCNK3KCNK9KMT2AMAPTALDH1A1
SCHEMBL9198091 0.83 HTT (0.66) KCNK3KCNK9KMT2AMAPTRAB9A
SCHEMBL9205708 0.82 KCNK3 (0.56) KCNK3KCNK9KMT2AMAPTMAPK1
SCHEMBL11594247 0.77 KCNK3 (0.71) KCNK3KCNK9KMT2AMAPTMAPK1
SCHEMBL3050016 0.77 KCNK3 (0.70) KCNK3KCNK9KMT2AMAPTMAPK1
SCHEMBL9200578 0.76 HPGD (0.49) KMT2AMAPTMAPK1RAB9ANPC1
SCHEMBL11795078 0.76 KCNK3 (0.73) KCNK3KCNK9KMT2AMAPTMAPK1

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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed