SCHEMBL9528336

SCHEMBL9528336

C=CCc1cc(C(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
MAOB P27338 2/20 0.52
ELANE P08246 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SYK P43405 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
PTPN1 P18031 1/20 0.46
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
SCHEMBL8418865 0.88 MEN1 (0.50) ELANEALDH1A1KDM4EMEN1KMT2A
SCHEMBL9417828 0.86 NPC1 (0.49) ELANEALDH1A1KDM4EPTGER1PTGER4
SCHEMBL10664626 0.84 MAOB (0.57) MRGPRX4MAOBELANEALDH1A1SMN1; SMN2
SCHEMBL8675320 0.83 MRGPRX4 (0.54) MRGPRX4MAOBALDH1A1PTGER1PTGER4
SCHEMBL21483708 0.83 MAOB (0.56) MRGPRX4MAOBALDH1A1KDM4EPTGER1
SCHEMBL11179076 0.83 MAOB (0.56) MRGPRX4MAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9525514 0.82 KDM4E (0.50) ELANEALDH1A1KDM4EMEN1KMT2A
SCHEMBL15338464 0.82 MAOB (0.55) MRGPRX4MAOBPTGER1PTGER4PTGER3
SCHEMBL21483714 0.82 ALDH1A1 (0.55) MRGPRX4MAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL3123036 0.81 MAOB (0.64) MRGPRX4MAOBALDH1A1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed