SCHEMBL7346398

SCHEMBL7346398

Cc1ccc(N(C)C)c(OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.55
RXRB P28702 7/20 0.55
RXRG P48443 5/20 0.55
MRGPRX4 Q96LA9 5/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.48
FOLH1 Q04609 1/20 0.48
POLB P06746 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL15871969 0.83 CYP19A1 (0.50) MRGPRX4SMN1; SMN2
SCHEMBL6861456 0.82 KEAP1 (0.53) RXRARXRBRXRGMRGPRX4
SCHEMBL6861660 0.82 KEAP1 (0.50) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL6862284 0.81 KEAP1 (0.49) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL6862227 0.81 KEAP1 (0.49) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL6864044 0.80 RXRA (0.51) RXRARXRBRXRGMRGPRX4
SCHEMBL7338948 0.80 CYP19A1 (0.53) RXRARXRBRXRGMRGPRX4NPC1
SCHEMBL6856173 0.79 RXRA (0.44) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL7339290 0.79 RXRA (0.47) RXRARXRBRXRGMRGPRX4HPGD
SCHEMBL6862663 0.78 KEAP1 (0.47) RXRARXRBRXRGMRGPRX4HPGD

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed