SCHEMBL30985386

SCHEMBL30985386

O=C(O)/C=C/c1ccc2c(c1)CCC2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
TACR1 P25103 17/20 0.41
FFAR1 O14842 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
SCHEMBL22500092 1.00 ESR1 (0.42) ESR1ESR2TACR1FFAR1
SCHEMBL22500243 0.94 TACR1 (0.41) ESR1ESR2TACR1
SCHEMBL30985377 0.94 TACR1 (0.41) ESR1ESR2TACR1
SCHEMBL22516716 0.91 TACR1 (0.42) TACR1FFAR1
SCHEMBL24437049 0.89 HDAC1 (0.47)
SCHEMBL30985342 0.89 HDAC1 (0.47)
SCHEMBL22516712 0.88 TTR (0.42) ESR1TACR1FFAR1
SCHEMBL30985341 0.88 TTR (0.42) ESR1TACR1FFAR1
SCHEMBL22516655 0.85 TACR1 (0.37) TACR1FFAR1
SCHEMBL22516733 0.85 TACR1 (0.42) TACR1

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