SCHEMBL7913410

SCHEMBL7913410

CCOc1cccc(C(c2ccccc2Cl)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ DYRK1A Q13627 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ ROCK2 O75116 3/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ SLC16A3 O15427 1/20 0.32
▸ SLC16A1 P53985 1/20 0.32
▸ MCTS1 Q9ULC4 1/20 0.32

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
SCHEMBL7913269 0.93 ROCK2 (0.34) CYP2C9HCAR2S1PR1ROCK2
SCHEMBL795594 0.89 ROCK2 (0.34) FFAR1CYP2C9HCAR2S1PR1ROCK2
SCHEMBL29922027 0.87 ROCK2 (0.34) FFAR1CYP2C9HCAR2S1PR1ROCK2
SCHEMBL1150210 0.87 ROCK2 (0.34) FFAR1CYP2C9HCAR2S1PR1ROCK2
SCHEMBL7911578 0.86 BCL2 (0.35) FFAR1CYP2C9HCAR2S1PR1ROCK2
SCHEMBL7903246 0.86 KDM4E (0.35) FFAR1S1PR1ROCK2RAD52
SCHEMBL7917122 0.86 ROCK2 (0.34) FFAR1CYP2C9HCAR2S1PR1ROCK2
SCHEMBL7913240 0.86 ROCK2 (0.34) FFAR1NR1H4CYP2C9HCAR2S1PR1
SCHEMBL7903224 0.85 CYP19A1 (0.34) FFAR1CYP2C9HCAR2ROCK2
SCHEMBL7911557 0.85 FFAR1 (0.35) FFAR1ROCK2RAD52

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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