SCHEMBL7127796

SCHEMBL7127796

O=S(=O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CES2 O00748 2/20 0.41
DAO P14920 2/20 0.41
ACP1 P24666 1/20 0.41
KIF11 P52732 1/20 0.40
PPARG P37231 1/20 0.39
CYP2D6 P10635 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TACR1 P25103 2/20 0.37
MLYCD O95822 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL14426986 0.85 IDO1 (0.39) IDO1CES2DAOACP1KIF11
SCHEMBL2376297 0.83 IDO1 (0.44) IDO1CES2DAOACP1KIF11
SCHEMBL496729 0.83 ACP1 (0.50) IDO1CES2DAOACP1KIF11
SCHEMBL773148 0.83 IDO1 (0.44) IDO1CES2DAOACP1KIF11
SCHEMBL4863519 0.83 KIF11 (0.59) IDO1CES2DAOACP1KIF11
SCHEMBL2376293 0.83 IDO1 (0.44) IDO1CES2DAOACP1KIF11
SCHEMBL27450225 0.79 GAA (0.56) IDO1DAOLMNAGAAKMT2A
SCHEMBL3298424 0.78 DAO (0.45) IDO1CES2DAOACP1PPARG
SCHEMBL341095 0.78 PPARG (0.41) IDO1CES2DAOACP1KIF11
SCHEMBL1776129 0.73 IDO1 (0.52) IDO1CES2DAORXRARXRB

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
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed