SCHEMBL8933532

SCHEMBL8933532

COc1ccc(CC[PH](=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
FPR2 P25090 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.44
NR1H3 Q13133 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
F2RL1 P55085 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL28615289 0.88 TDP1 (0.54) LTA4HNPC1RAB9AKMT2AALOX5
SCHEMBL8933556 0.83 LTA4H (0.50) LTA4HNPC1RAB9ATAAR1MEN1
SCHEMBL971238 0.83 LTA4H (0.53) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL8933602 0.80 LTA4H (0.50) LTA4HFPR2NPC1RAB9ATAAR1
SCHEMBL2355634 0.76 LTA4H (0.75) LTA4HNPC1RAB9ATAAR1MEN1
SCHEMBL9054554 0.75 F2RL1 (0.53) TAAR1ALOX5F2RL1ALDH1A1
SCHEMBL28438989 0.73 CA1 (0.44) TDP1ALDH1A1TSHR
SCHEMBL5632470 0.72 LTA4H (0.69) LTA4HNPC1RAB9ATAAR1ALOX5
SCHEMBL971237 0.72 CA4 (0.54) LTA4HNPC1RAB9AHTTALDH1A1
SCHEMBL834551 0.71 TAAR1 (0.73) LTA4HTAAR1F2RL1

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
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO disclosed