SCHEMBL9160936

SCHEMBL9160936

NCC(=O)N(CC(=O)N1CCCC(C(=O)O)C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9160946 1.00 CREBBP (0.45) CREBBPALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9156593 0.87 HPGD (0.57) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9160859 0.86 HPGD (0.55) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9152726 0.85 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2HPGDKMT2ANPC1
SCHEMBL9471748 0.84 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9157868 0.83 KMT2A (0.57) CREBBPALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9157855 0.83 KMT2A (0.57) CREBBPALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9154036 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9158344 0.76 PLA2G1B (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL9162155 0.75 CCKBR (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A

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