SCHEMBL24242154

SCHEMBL24242154

CCCC(=O)CCc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.57
▸ TAAR1 Q96RJ0 3/20 0.49
▸ FFAR1 O14842 2/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ AR P10275 1/20 0.46
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RIPK1 Q13546 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL7332798 0.91 TAAR1 (0.57) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL27670498 0.81 TAAR1 (0.50) TAAR1RIPK1L3MBTL1NPC1RAB9A
SCHEMBL110045 0.81 IAPP (0.58) IAPPTAAR1FFAR4NR3C2THRA
SCHEMBL4234560 0.81 ALDH1A1 (0.60) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL24242075 0.81 FFAR1 (0.48) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL22699217 0.80 TAAR1 (0.49) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL28210558 0.80 FFAR1 (0.57) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL4151444 0.79 TAAR1 (0.45) TAAR1FFAR1FFAR4ESR1NR3C1
SCHEMBL9709577 0.79 IAPP (0.59) IAPPTAAR1FFAR1FFAR4
SCHEMBL6586 0.79 FFAR1 (0.68) TAAR1FFAR1FFAR4ESR1NR3C1

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-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 — — EP disclosed
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