SCHEMBL9502190

SCHEMBL9502190

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)NCCOC)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
SMPD1 P17405 5/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.52
PKM P14618 1/20 0.50
CNR2 P34972 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48

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
SCHEMBL9505521 0.93 GAA (0.67) GAATDP1L3MBTL1SMPD1POLB
SCHEMBL9503796 0.87 GAA (0.59) GAATDP1L3MBTL1SMPD1TP53
SCHEMBL9503808 0.87 GAA (0.59) GAATDP1L3MBTL1SMPD1TP53
SCHEMBL9505454 0.85 ACAT1 (0.64) GAATDP1L3MBTL1SMPD1NPC1
SCHEMBL9502187 0.85 ACAT1 (0.64) GAATDP1L3MBTL1SMPD1NPC1
SCHEMBL9502473 0.85 ACAT1 (0.64) GAATDP1L3MBTL1SMPD1NPC1
SCHEMBL9365138 0.84 ACAT1 (0.66) GAASMPD1TP53PKMHDAC1
SCHEMBL9361811 0.84 ACAT1 (0.66) GAASMPD1TP53PKMHDAC1
SCHEMBL9506274 0.84 GAA (0.60) GAATDP1L3MBTL1SMPD1CYP1A2
SCHEMBL9362330 0.84 ACAT1 (0.66) GAASMPD1TP53PKMHDAC1

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed