SCHEMBL9119211

SCHEMBL9119211

CCCCc1cc2ccccc2c(Cc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.47
DHODH Q02127 1/20 0.46
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
TLR7 Q9NYK1 1/20 0.44
CTRC Q99895 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL9120308 0.87 TLR7 (0.46) DHODHTLR7KDM4EABCB11LMNA
SCHEMBL9119796 0.82 DHODH (0.53) RARBDHODHAGTR1AGTR2TLR7
SCHEMBL8780486 0.76 NR1H4 (0.39) LMNAALDH1A1
SCHEMBL9120742 0.75 RARB (0.46) RARBAGTR1AGTR2TLR7TDP1
SCHEMBL7838473 0.74 NR1H4 (0.49) DHODHAGTR1AGTR2TLR7KDM4E
SCHEMBL7849445 0.73 DHODH (0.51) RARBDHODHAGTR1AGTR2TLR7
Hydrochloric Acid SCHEMBL8502040 0.73 NR1H4 (0.48) DHODHAGTR1AGTR2TLR7KDM4E
SCHEMBL4243783 0.71 DHODH (0.45) DHODHKDM4ELMNACYP1A2TDP1
SCHEMBL9118964 0.71 AGTR1 (0.47) RARBDHODHAGTR1AGTR2TLR7
SCHEMBL1682210 0.71 LTB4R (0.43) LMNACYP1A2TDP1ALDH1A1RAB9A

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