SCHEMBL7371103

SCHEMBL7371103

COc1ccc(CC(=O)CCCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.53
▸ F2RL1 P55085 1/20 0.51
▸ VNN1 O95497 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CTBP2 P56545 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LDHA P00338 1/20 0.45

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
SCHEMBL7356660 0.95 HTT (0.51) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL6936332 0.90 HTT (0.56) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL4641825 0.85 HTT (0.51) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL20610767 0.85 F2RL1 (0.68) F2RL1SMN1; SMN2ALDH1A1ALOX5POLB
SCHEMBL10743710 0.85 HTT (0.54) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL3006056 0.82 HTT (0.59) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL9234996 0.82 CNR1 (0.54) HTTF2RL1CYP3A4CYP2C19
SCHEMBL3628705 0.82 HTT (0.68) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1
SCHEMBL8636964 0.81 HTT (0.58) HTTF2RL1VNN1SMN1; SMN2CTBP2
SCHEMBL4641839 0.81 HTT (0.50) HTTF2RL1SMN1; SMN2CTBP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087346-A Sigma receptor ligands and the use thereof CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-07-11 — — US disclosed
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 — — EP disclosed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 — — EP disclosed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 — — WO disclosed
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