SCHEMBL23615482

SCHEMBL23615482

OC(Cc1ccc(C(F)(F)F)cc1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MIF P14174 1/20 0.40
POLB P06746 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
AGTR1 P30556 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD11B1 P28845 1/20 0.37
IDO1 P14902 2/20 0.37
PKM P14618 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
SCHEMBL9764695 0.78 MIF (0.59) KMT2AMEN1SMN1; SMN2MIFPOLB
SCHEMBL7578243 0.78 MIF (0.59) KMT2AMEN1SMN1; SMN2MIFPOLB
SCHEMBL31435844 0.74 HSD11B1 (0.50) PPARGPPARATAAR1HSD11B1IDO1
SCHEMBL31435841 0.74 HSD11B1 (0.50) PPARGPPARATAAR1HSD11B1IDO1
SCHEMBL16868329 0.71 ALDH1A1 (0.47) NPC1RAB9AALDH1A1PPARGPPARA
SCHEMBL2423098 0.71 ALDH1A1 (0.47) NPC1RAB9AALDH1A1PPARGPPARA
SCHEMBL29700303 0.70 KMT2A (0.40) OPRM1OPRD1KMT2AMEN1SMN1; SMN2
SCHEMBL17335796 0.69 PIK3CA (0.51) OPRM1OPRD1NPC1RAB9AKMT2A
SCHEMBL28982569 0.68 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PPARGPPARA
SCHEMBL1594672 0.68 TAAR1 (0.52) KMT2APPARGPPARATAAR1IDO1

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-3845546-A1 COMPLEXES Johnson Matthey Public Limited Company (GB) 2021-07-07 EP disclosed