SCHEMBL8953741

SCHEMBL8953741

O=C(c1cc(F)cc(OCc2ccccc2)c1)C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RORC P51449 1/20 0.45
NR4A2 P43354 4/20 0.45
KAT6A Q92794 1/20 0.43
MAOB P27338 1/20 0.43
EGFR P00533 1/20 0.42
NAAA Q02083 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
FFAR1 O14842 1/20 0.42
FAAH O00519 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
SCHEMBL8953638 0.88 HRH3 (0.40) KMT2AMEN1ALDH1A1NR4A2MAOB
SCHEMBL21051406 0.84 NR4A1 (0.57) KMT2AMEN1ALDH1A1NR4A2MAOB
SCHEMBL8953782 0.83 MAOB (0.40) KMT2ANR4A2MAOB
SCHEMBL8408804 0.82 F10 (0.53)
SCHEMBL8953811 0.81 ALOX5 (0.40) KMT2AMAOB
SCHEMBL8306162 0.79 MEN1 (0.79) KMT2AMEN1NR4A2MAOBNR4A1
SCHEMBL9310760 0.77 ALOX5 (0.66)
SCHEMBL9307584 0.77 ALOX5 (0.49) KMT2AMEN1NR4A2MAOB
SCHEMBL8953658 0.77 HSD11B1 (0.37) ALDH1A1KAT6AKDM2B
SCHEMBL16115550 0.77 KMT2A (0.60) KMT2AMEN1NR4A2MAOBNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
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