SCHEMBL16956747

SCHEMBL16956747

C=C[C](C)c1cc(OC)cc(OCCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ PLA2G2A P14555 1/20 0.45
▸ CNR1 P21554 6/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 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
SCHEMBL16960574 0.89 PLA2G2A (0.46) AHRPLA2G2ARAB9ALMNATSHR
SCHEMBL16959315 0.86 ESR1 (0.45) AHRMAOBNQO2PTGS1NPC1
SCHEMBL16953056 0.85 PLA2G2A (0.43) AHRPLA2G2ARAB9ATSHRHTT
SCHEMBL16951121 0.85 PLA2G2A (0.42) PLA2G2ARAB9ATSHR
SCHEMBL16952189 0.85 PLA2G2A (0.42) PLA2G2ARAB9ATSHR
SCHEMBL16960075 0.84 PLA2G2A (0.42) AHRPLA2G2ACNR1CNR2PPARG
SCHEMBL16953340 0.84 PLA2G2A (0.41) PLA2G2ANPC1RAB9ATSHRSMN1; SMN2
SCHEMBL16955003 0.84 PLA2G2A (0.41) PLA2G2ACNR1CNR2RAB9ALMNA
SCHEMBL16954357 0.84 PLA2G2A (0.41) PLA2G2ARAB9ATSHR
SCHEMBL16958471 0.84 PLA2G2A (0.41) PLA2G2ARAB9ATSHR

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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