SCHEMBL7570660

SCHEMBL7570660

CCCCC(=O)Nc1ccc(C(=O)O)cc1OCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.41
BRD4 O60885 5/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
LTB4R Q15722 1/20 0.40
BDKRB1 P46663 1/20 0.40
SOAT1 P35610 2/20 0.39

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
SCHEMBL7575469 0.85 BDKRB1 (0.44) LTB4RBDKRB1SOAT1
SCHEMBL7570385 0.82 SOAT1 (0.40) BDKRB1SOAT1
SCHEMBL7570389 0.81 HTT (0.40) LTB4RSOAT1
SCHEMBL7575457 0.81 SOAT1 (0.40) BDKRB1SOAT1
SCHEMBL7565426 0.81 AGTR1 (0.41) PTGER1BRD4RXRARXRBRXRG
Hydrochloric Acid SCHEMBL9175575 0.77 AGTR1 (0.56)
SCHEMBL9135586 0.75 AGTR1 (0.52)
SCHEMBL4609709 0.75 LTB4R2 (0.60) BDKRB1
SCHEMBL9135381 0.74 AGTR1 (0.49) RXRARXRBRXRG
SCHEMBL7572573 0.73 SOAT1 (0.36) BDKRB1SOAT1

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
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed