SCHEMBL9542255

SCHEMBL9542255

COc1cccc(OCc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MAOB P27338 4/20 0.49
HSD11B1 P28845 1/20 0.48
HSD11B2 P80365 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 1/20 0.48
MCHR1 Q99705 1/20 0.48
POLB P06746 2/20 0.47
SLC2A1 P11166 3/20 0.47
SLC2A4 P14672 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMPD1 P17405 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
SCHEMBL3455822 0.87 MEN1 (0.55) TDP1MAOBHSD11B1HSD11B2SMN1; SMN2
SCHEMBL3456937 0.84 MAOB (0.57) MAOBPOLBMEN1KMT2ASMPD1
SCHEMBL9540802 0.83 TUBB1 (0.47) TDP1HSD11B1HSD11B2SMN1; SMN2MCHR1
SCHEMBL3455018 0.82 MEN1 (0.61) MAOBMEN1KMT2A
SCHEMBL3455720 0.82 SMN1; SMN2 (0.54) LMNAHPGDSMN1; SMN2POLBMEN1
Benzamide SCHEMBL3455410 0.81 PARP10 (0.54) LMNAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL10454995 0.79 KMT2A (0.64) LMNAHPGDSMN1; SMN2MCHR1POLB
SCHEMBL11406234 0.79 KMT2A (0.64) LMNAHPGDSMN1; SMN2MCHR1POLB
SCHEMBL8738176 0.78 MAOB (0.48) MRGPRX4MAOBCYP2C19SMN1; SMN2SMPD1
SCHEMBL7040051 0.75 ALDH1A1 (0.54) LMNAHPGDHSD11B1HSD11B2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed