SCHEMBL8410625

SCHEMBL8410625

CCCCC(=CC(=O)OCC)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ ICMT O60725 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SOAT2 O75908 1/20 0.46
▸ SOAT1 P35610 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EPHX1 P07099 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43

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
SCHEMBL8410623 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNATHRB
SCHEMBL3974081 0.95 SOAT2 (0.53) ALDH1A1MAPTLMNATHRBICMT
SCHEMBL3974083 0.95 SOAT2 (0.53) ALDH1A1MAPTLMNATHRBICMT
SCHEMBL28242834 0.85 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTLMNATHRB
SCHEMBL19751312 0.83 SOAT2 (0.56) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL19732872 0.83 SOAT2 (0.56) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL30271651 0.83 SOAT2 (0.56) ALDH1A1ICMTALBSOAT2SOAT1
SCHEMBL334253 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNATHRB
SCHEMBL334254 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNATHRB
SCHEMBL28243621 0.81 LMNA (0.48) ALDH1A1SMN1; SMN2MAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 — — US disclosed
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