SCHEMBL8829778

SCHEMBL8829778

O=C(O)[C@H](O)[C@@H](NCCc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
CNR2 P34972 1/20 0.49
HAT1 O14929 2/20 0.47
EP300 Q09472 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
TACR1 P25103 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CCR3 P51677 1/20 0.43
FPR2 P25090 1/20 0.43
MLYCD O95822 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8829745 0.85 RAB9A (0.50) PLAAT3PLAAT5PLAAT2PLAAT4CNR2
SCHEMBL8829770 0.81 OPRM1 (0.47) HAT1EP300KMT2A
SCHEMBL8829697 0.80 CNR2 (0.49) CNR2HAT1EP300MEN1KMT2A
SCHEMBL8829775 0.74 CASR (0.48) CNR2HSD11B1
SCHEMBL1884632 0.72 OPRK1 (0.48) CNR2MEN1KMT2APPARGPPARA
SCHEMBL1881832 0.72 OPRK1 (0.48) CNR2MEN1KMT2APPARGPPARA
SCHEMBL9394477 0.72 TACR1 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CNR2
SCHEMBL9427609 0.71 ACP3 (0.50) MEN1KMT2ACYP1A2TSHRCYP2C19
SCHEMBL8430372 0.71 ACP3 (0.50) MEN1KMT2ACYP1A2TSHRCYP2C19
SCHEMBL3062674 0.71 MLYCD (0.76) PLAAT3PLAAT5PLAAT2PLAAT4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5608102-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENC RORER S.A. (FR) 1997-03-04 US disclosed