SCHEMBL30985356

SCHEMBL30985356

CCOC(=O)/C=C/c1ccc2c(c1)CCCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 1/20 0.38
TACR1 P25103 4/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
HTT P42858 1/20 0.37
FDPS P14324 1/20 0.37
FFAR1 O14842 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
SCHEMBL22517065 1.00 TTR (0.40) TTRDPP4CA12CA1CA2
SCHEMBL30985341 0.95 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL22516712 0.95 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL22500243 0.88 TACR1 (0.41) TACR1ESR1
SCHEMBL30985377 0.88 TACR1 (0.41) TACR1ESR1
SCHEMBL22516733 0.87 TACR1 (0.42) TACR1
SCHEMBL22516670 0.85 HDAC1 (0.45)
SCHEMBL30985386 0.82 ESR1 (0.42) TACR1ESR1FFAR1
SCHEMBL22500092 0.82 ESR1 (0.42) TACR1ESR1FFAR1
SCHEMBL22516716 0.81 TACR1 (0.42) TACR1FFAR1

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-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed