SCHEMBL28099819

SCHEMBL28099819

C=C(CC(O)Cc1ccccc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
ABCB1 P08183 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SRR Q9GZT4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALPL P05186 1/20 0.41
POLB P06746 1/20 0.41
ALPG P10696 1/20 0.41
CTRB1 P17538 2/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.40
GLS O94925 1/20 0.40
CPA1 P15085 1/20 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
SCHEMBL4453375 0.82 TRPA1 (0.57) TRPA1TRPV1SRRALPLPOLB
SCHEMBL7633821 0.80 ABCB1 (0.57) TRPA1ABCB1TRPV1PPARGPPARA
SCHEMBL21816727 0.79 CYP2D6 (0.50) CYP1A2ATM
SCHEMBL27741432 0.76 CTSK (0.40) ABCB1NPC1RAB9ACTRB1ATM
SCHEMBL1666500 0.76 CES2 (0.48) NPC1RAB9APOLB
SCHEMBL28118587 0.76 CES2 (0.48) NPC1RAB9APOLB
SCHEMBL24925106 0.75 MMP1 (0.48) POLB
SCHEMBL28977372 0.74 TRPA1 (0.61) TRPA1TRPV1PPARGPPARASRR
SCHEMBL10535065 0.74 TRPA1 (0.65) TRPA1TRPV1SRRALPLPOLB
SCHEMBL7575673 0.74 TRPA1 (0.76) TRPA1TRPV1SRRALPLPOLB

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-104039836-B Photocurable composition and patterning method 佳能株式会社 2016-10-05 CN disclosed