SCHEMBL3736621

SCHEMBL3736621

COC(=O)C(=C(C)N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 5/20 0.45
CYP3A4 P08684 4/20 0.45
POLB P06746 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
PARP1 P09874 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
PTGS1 P23219 1/20 0.42
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
SRC P12931 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL9639714 0.86 TSHR (0.60) TSHRMAPTCYP3A4TDP1HSD17B10
SCHEMBL28894376 0.86 TSHR (0.60) TSHRMAPTCYP3A4TDP1HSD17B10
SCHEMBL12588750 0.84 TSHR (0.54) TSHRMAPTCYP3A4POLBTDP1
SCHEMBL4957182 0.82 TSHR (0.52) TSHRMAPTCYP3A4POLBTDP1
SCHEMBL27939248 0.81 TSHR (0.50) TSHRMAPTCYP3A4POLBTDP1
SCHEMBL11238853 0.80 ALDH1A1 (0.54) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL11238855 0.80 ALDH1A1 (0.54) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL10606385 0.80 TSHR (0.54) TSHRMAPTCYP3A4TDP1ALDH1A1
SCHEMBL20610672 0.79 TSHR (0.52) TSHRMAPTCYP3A4POLBTDP1
SCHEMBL28198887 0.79 TSHR (0.52) TSHRMAPTCYP3A4POLBTDP1

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
US-7831183-B2 Electrophotograph developing roller and developing apparatus employing the same KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-11-09 US disclosed
US-20080069601-A1 DEVELOPING ROLLER AND DEVELOPING APPARATUS KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-03-20 US disclosed