SCHEMBL7121699

SCHEMBL7121699

CCC(CC)CNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.57
NAAA Q02083 1/20 0.53
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.49
GPR139 Q6DWJ6 1/20 0.47
ITGAV P06756 2/20 0.47
PPARG P37231 1/20 0.47
BACE1 P56817 1/20 0.46

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
SCHEMBL25970067 0.96 RAB9A (0.59) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL16613793 0.90 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL22373757 0.87 TSHR (0.63) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL17426746 0.87 RAB9A (0.50) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL8673499 0.86 RAB9A (0.49) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL799425 0.84 NAMPT (0.58) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL4482387 0.84 GFER (0.50) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL19349021 0.84 NAMPT (0.58) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL10872706 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAANAAA
SCHEMBL27366046 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2GAANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
US-20230140883-A1 NOVEL MEMBRANES AND PREPARATION THEREOF IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-05-11 US disclosed