SCHEMBL10549752

SCHEMBL10549752

O=C(O)c1cc(Cl)cc2cc(-c3ccccc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.55
ERAP1 Q9NZ08 8/20 0.47
GPR35 Q9HC97 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.45
TUBB8B A6NNZ2 1/20 0.44
EGFR P00533 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL3224507 0.87 ERAP1 (0.53) PTGER1ERAP1GPR35NPC1RAB9A
SCHEMBL3215517 0.85 PTGER1 (0.47) PTGER1ERAP1NPC1KDM4EALDH1A1
SCHEMBL5123749 0.83 NPC1 (0.51) PTGER1GPR35NPC1RAB9AKDM4E
SCHEMBL8155546 0.80 MAOA (0.58) ERAP1NPC1RAB9AKDM4EALDH1A1
SCHEMBL5124786 0.78 ALDH1A1 (0.49) GPR35NPC1RAB9AKDM4EALDH1A1
SCHEMBL10552149 0.78 ERAP1 (0.66) ERAP1NPC1RAB9ACYSLTR1
SCHEMBL10553934 0.77 MAOA (0.53) GPR35NPC1RAB9AKDM4EALDH1A1
SCHEMBL14104632 0.77 TUBB8B (0.43) PTGER1KDM4EALDH1A1TUBB8BEGFR
SCHEMBL3224946 0.76 PTGER1 (0.55) PTGER1ERAP1NPC1RAB9AESR1
SCHEMBL2956591 0.75 DHODH (0.61) NPC1RAB9AKDM4EALDH1A1POLB

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
US-4882340-A INHIBITS REFLECTIVE CONTRACTION OF URINARY BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-11-21 US disclosed
US-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 US disclosed
EP-0306226-A2 A benzofuran derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1989-03-08 EP disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 EP disclosed