SCHEMBL9158363

SCHEMBL9158363

O=C(O)[C@@H](Nc1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ FPR2 P25090 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL9158357 1.00 GAA (0.46) GAALMNAHPGDTSHRSMN1; SMN2
SCHEMBL9158379 0.83 ALDH1A1 (0.44) LMNAHPGDTSHRSMN1; SMN2MEN1
SCHEMBL31378269 0.80 CTSL (0.49) GAALMNAHPGDTSHRSMN1; SMN2
SCHEMBL9158572 0.79 GAA (0.50) GAALMNAHPGDSMN1; SMN2MEN1
SCHEMBL27459999 0.79 ALDH1A1 (0.50) GAALMNAHPGDTSHRSMN1; SMN2
SCHEMBL5511994 0.78 CA12 (0.50) GAALMNAHPGDTSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6567389 0.76 CTSL (0.43) GAALMNAHPGDTSHRSMN1; SMN2
SCHEMBL31262880 0.74 CTSL (0.50) GAALMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL31262932 0.73 CTSL (0.49) GAALMNAHPGDSMN1; SMN2MEN1
SCHEMBL3307077 0.71 ALDH1A1 (0.53) GAALMNAHPGDTSHRSMN1; SMN2

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 — — US disclosed
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