SCHEMBL10690301

SCHEMBL10690301

CN(O)C(=O)Cc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.65
LTB4R Q15722 4/20 0.55
LTB4R2 Q9NPC1 4/20 0.55
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
XBP1 P17861 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MDM2 Q00987 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 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
SCHEMBL10695989 0.84 ALOX5 (0.66) ALOX5LTB4RLTB4R2NPC1RAB9A
SCHEMBL10980236 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL3950358 0.84 PPARD (0.60) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL29394534 0.84 PPARD (0.60) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL10832407 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL10690603 0.80 ALOX5 (0.53) ALOX5LTB4RLTB4R2NPC1RAB9A
SCHEMBL2755055 0.79 ALOX5 (1.00) ALOX5LTB4RLTB4R2L3MBTL1
Hydrochloric Acid SCHEMBL11468082 0.79 LTB4R (0.50) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL10915924 0.78 NPC1 (0.49) LTB4RLTB4R2NPC1RAB9ASMN1; SMN2
SCHEMBL11464024 0.77 PDK2 (0.50) NPC1RAB9ASMN1; SMN2HPGDMAPT

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-4792560-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-12-20 US disclosed
EP-0196674-A2 Hydroxamates as modulators of arachidonic acid metabolic pathways USV PHARMACEUTICAL CORPORATION (US) 1986-10-08 EP disclosed