SCHEMBL19751374

SCHEMBL19751374

Cc1cccc(Cc2ccc(S)c(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ DAO P14920 2/20 0.41
▸ ACHE P22303 1/20 0.39
▸ SLC5A2 P31639 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ MAOB P27338 1/20 0.37

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
SCHEMBL27652673 0.82 TAAR1 (0.46) TAAR1IDO1ESR1ESR2MAOB
SCHEMBL8093804 0.82 TAAR1 (0.56) TAAR1LTA4HIDO1DAOACHE
SCHEMBL1263547 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL29459538 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL30000562 0.82 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL24423317 0.80 ESR1 (0.48) ESR1ESR2
SCHEMBL8093981 0.79 TAAR1 (0.46) TAAR1LTA4HIDO1ESR1ESR2
SCHEMBL11087087 0.78 LTA4H (0.53) TAAR1LTA4HIDO1DAOACHE
SCHEMBL8085716 0.78 CALM1 (0.55) TAAR1LTA4HIDO1DAOACHE
SCHEMBL21096818 0.78 ESR1 (0.74) TAAR1LTA4HIDO1ESR1ESR2

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
EP-2028683-B1 Process for producing an organic transistor. NISSAN CHEMICAL IND LTD (JP) 2017-12-27 — — EP disclosed
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