SCHEMBL21166680

SCHEMBL21166680

c1ccc(-c2cc3cc4c(cc3s2)sc2cc3sc(-c5ccccc5)cc3cc24)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
APP P05067 2/20 0.44
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
RAB9A P51151 4/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL25451947 0.96 ESR1 (0.53) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL21166599 0.92 ESR1 (0.56) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL17356257 0.92 ESR1 (0.49) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL18382240 0.90 ESR1 (0.47) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL20911084 0.89 ESR1 (0.53) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL13299951 0.88 ESR1 (0.63) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL17356245 0.87 ESR1 (0.47) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL17356247 0.87 ESR1 (0.47) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL2150417 0.86 ESR1 (0.66) ESR1ESR2APPHSD17B1HSD17B2
SCHEMBL17356258 0.84 ESR1 (0.49) ESR1ESR2APPHSD17B1HSD17B2

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
US-20190221754-A1 BOTTOM GATE TYPE ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed