SCHEMBL7278787

SCHEMBL7278787

CCCCOC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.48
LTB4R2 Q9NPC1 5/20 0.48
ABCB11 O95342 1/20 0.48
GP6 Q9HCN6 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTPN1 P18031 1/20 0.40
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
FSHR P23945 1/20 0.39
MME P08473 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
AGTR2 P50052 1/20 0.37

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
SCHEMBL7271381 0.94 ALDH1A1 (0.48) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL2989 0.91 FFAR1 (0.43) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL6509546 0.87 ALDH1A1 (0.49) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL7278662 0.86 MME (0.44) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL1810055 0.85 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL1810051 0.85 AGTR1 (0.64) AGTR1LTB4R2ABCB11GP6
SCHEMBL1820 0.85 FFAR1 (0.43) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL2651 0.81 ALDH1A1 (0.52) AGTR1LTB4R2ABCB11GP6ALDH1A1
SCHEMBL2443439 0.81 LTB4R2 (0.44) AGTR1LTB4R2ABCB11GP6FFAR1
SCHEMBL3085 0.79 AGTR1 (0.55) AGTR1LTB4R2ABCB11GP6ALDH1A1

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-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed