SCHEMBL28062818

SCHEMBL28062818

CC(C)=C(C)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
CYP2A6 P11509 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL11105093 0.81 TSHR (0.50) CES2CES1TSHRMAPK1ALOX15
SCHEMBL11360962 0.79 CES2 (0.44) CES2CES1TSHRMAPK1ALOX15
SCHEMBL315559 0.77 CES2 (0.52) CES2CES1TSHRMAPK1ALOX15
SCHEMBL6002650 0.77 CES2 (0.52) CES2CES1TSHRMAPK1ALOX15
SCHEMBL30921537 0.75 CES2 (0.41) CES2CES1TSHRMAPK1ALOX15
SCHEMBL29262715 0.75 ALOX15 (0.56) CES2CES1TSHRMAPK1ALOX15
SCHEMBL28571548 0.75 CES2 (0.41) CES2CES1TSHRMAPK1ALOX15
SCHEMBL7555313 0.74 TSHR (0.55) CES2CES1TSHRMAPK1ALOX15
SCHEMBL8744643 0.74 ESR1 (0.67) TSHRMAPK1ALOX15CYP3A4LMNA
SCHEMBL2768215 0.74 ALDH1A1 (0.50) CES2CES1MAPK1ATMLMNA

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
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed