SCHEMBL9119796

SCHEMBL9119796

CCCCc1cc(Cc2ccc(C(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.53
KDM4E B2RXH2 1/20 0.52
AGTR1 P30556 5/20 0.51
AGTR2 P50052 5/20 0.51
TLR7 Q9NYK1 1/20 0.49
RARB P10826 2/20 0.48
TSHR P16473 1/20 0.45
ADAM17 P78536 1/20 0.44
MPL P40238 1/20 0.44
CTRC Q99895 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
SCHEMBL4058443 0.87 ADAM17 (0.54) KDM4EAGTR1AGTR2TSHRADAM17
SCHEMBL7834869 0.85 DHODH (0.59) DHODHAGTR1AGTR2
SCHEMBL9119211 0.82 RARB (0.47) DHODHKDM4EAGTR1AGTR2TLR7
SCHEMBL7838473 0.81 NR1H4 (0.49) DHODHKDM4EAGTR1AGTR2TLR7
Hydrochloric Acid SCHEMBL8502040 0.81 NR1H4 (0.48) DHODHKDM4EAGTR1AGTR2TLR7
SCHEMBL7849445 0.81 DHODH (0.51) DHODHKDM4EAGTR1AGTR2TLR7
SCHEMBL8780501 0.81 MEN1 (0.42) DHODHKDM4ETLR7TSHR
SCHEMBL8673292 0.80 KDM4E (0.55) DHODHKDM4ETSHR
SCHEMBL7834873 0.80 DHODH (0.47) DHODHKDM4EAGTR1AGTR2
SCHEMBL8501790 0.80 PLA2G2A (0.52) DHODHAGTR1AGTR2

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-5478938-A Antagonists for angiotensin II receptors; hypotensive, cardiotonic agents; cognitive activators ROUSSEL UCLAF (FR) 1995-12-26 US disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 US disclosed