SCHEMBL9634451

SCHEMBL9634451

C=CCON(OCC=C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
ESR1 P03372 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR1 P21453 1/20 0.33
PTPRC P08575 1/20 0.33
LIG1 P18858 1/20 0.32

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
SCHEMBL8421910 0.83 CYP3A4 (0.38) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL14813230 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AESR1SMN1; SMN2
SCHEMBL9326850 0.79 MEN1 (0.37) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL29093371 0.75 GAA (0.39) ALDH1A1MEN1KMT2ATSHRALOX15
SCHEMBL27183056 0.72 ALDH1A1 (0.36) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL29113994 0.71 TSHR (0.49) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL28109024 0.71 ALDH1A1 (0.54) ALDH1A1ESR1PKMS1PR1
SCHEMBL8423295 0.71 GAA (0.42) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL1953867 0.70 ALDH1A1 (0.40) CYP3A4ALDH1A1MEN1KMT2ATSHR
SCHEMBL11072425 0.70 NPSR1 (0.37) CYP3A4ALDH1A1MEN1KMT2ATSHR

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
EP-0287478-B1 PROCESS FOR PREPARING AROMATIC DIAMINES CONTAINING POLYDIORGANOSILOXANE GROUPS RHONE-POULENC CHIMIE (FR) 1992-05-13 EP disclosed
EP-0287478-A1 Process for preparing aromatic diamines containing polydiorganosiloxane groups RHONE-POULENC CHIMIE (FR) 1988-10-19 EP disclosed