SCHEMBL7356660

SCHEMBL7356660

COc1ccc(CC(=O)CCCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ F2RL1 P55085 1/20 0.50
▸ VNN1 O95497 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CTBP2 P56545 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ FFAR1 O14842 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
SCHEMBL7371103 0.95 HTT (0.53) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL6936332 0.88 HTT (0.56) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL4641839 0.86 HTT (0.50) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL9234996 0.84 CNR1 (0.54) HTTF2RL1CYP3A4CYP2C19
SCHEMBL10743710 0.83 HTT (0.54) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL3006056 0.81 HTT (0.59) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL20610767 0.81 F2RL1 (0.68) F2RL1SMN1; SMN2ALDH1A1ALOX5POLB
SCHEMBL4641825 0.81 HTT (0.51) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL3628705 0.80 HTT (0.68) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL8636964 0.80 HTT (0.58) HTTF2RL1VNN1SMN1; SMN2CTBP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 — — CN disclosed
EP-1140934-A1 BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-10-10 — — EP disclosed
WO-2000037466-A1 BENZISOXAZOLES AND PHENONES AS α2-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 — — WO disclosed
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