SCHEMBL5017360

SCHEMBL5017360

CCc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(CC)c(O)c(CC)c3)cc2)cc(CC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
ESR1 P03372 7/20 0.50
ESR2 Q92731 6/20 0.50
KLF10 Q13118 1/20 0.50
CYP3A4 P08684 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
AR P10275 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR6 P50406 1/20 0.48
ESRRG P62508 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALOX12 P18054 2/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL10903737 0.94 ESR1 (0.59) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL948481 0.94 ALOX15 (0.61) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL5523863 0.93 ALOX15 (0.49) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL3656530 0.91 ALOX15 (0.59) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL1025007 0.90 GABRA1 (0.52) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL25686511 0.89 ESR1 (0.53) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL3451808 0.87 KLF10 (0.51) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL5026246 0.86 GABRA1 (0.57) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL12285444 0.86 ALOX15 (0.53) ALOX15MAPK1HTTGABRA1GABRB2
SCHEMBL9863223 0.86 ALOX15 (0.53) ALOX15MAPK1HTTGABRA1GABRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442459-B2 Solid electrolyte, membrane and electrode assembly, and fuel cell FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
US-RE31165-E Transparent moulding composition of a polycarbonate and a resin BAYER AKTIENGESELLSCHAFT (DE) 1983-03-01 US disclosed