SCHEMBL9308573

SCHEMBL9308573

CC1(C(=O)c2cc(F)cc(OCc3ccccc3)c2)COC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAOB P27338 5/20 0.46
NR4A2 P43354 5/20 0.45
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
FFAR1 O14842 1/20 0.42
SMPD1 P17405 1/20 0.41
PTGER1 P34995 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SRD5A2 P31213 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
SCHEMBL9307698 0.89 ALOX5 (0.50) MAOBMRGPRX4RAB9A
SCHEMBL8306162 0.79 MEN1 (0.79) KMT2AMEN1MAOBNR4A2NR4A1
SCHEMBL7809050 0.77 KMT2A (0.57) KMT2AMEN1MAOBNR4A2ALDH1A1
SCHEMBL16115550 0.77 KMT2A (0.60) KMT2AMEN1MAOBNR4A2NR4A1
SCHEMBL8953741 0.76 KMT2A (0.50) KMT2AMEN1MAOBNR4A2ALDH1A1
SCHEMBL9257608 0.76 KMT2A (0.44) KMT2AMEN1MAOBNR4A2HIF1A
SCHEMBL16137686 0.76 KMT2A (0.59) KMT2AMEN1MAOBNR4A2ALDH1A1
SCHEMBL9310392 0.75 FFAR1 (0.39) KMT2AMEN1MAOBHIF1AFFAR1
SCHEMBL5042093 0.72 ALOX5 (0.55) KMT2AMEN1MAOBALDH1A1HIF1A
SCHEMBL31160636 0.72 MEN1 (0.59) KMT2AMEN1MAOBALDH1A1HIF1A

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
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed