SCHEMBL4386541

SCHEMBL4386541

CCC(C)c1cc(C(C)c2ccc(O)c(C(C)CC)c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.58
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
USP2 O75604 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.41
PDCD1 Q15116 1/20 0.41
ESR2 Q92731 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
RECQL P46063 4/20 0.40

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
SCHEMBL20917760 0.91 TSHR (0.55) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL487428 0.90 GAA (0.67) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL5388682 0.88 RORC (0.58) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL4389791 0.86 RORC (0.56) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL3152462 0.82 GAA (0.62) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL9336626 0.82 TSHR (0.72) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL4390370 0.81 GABRA1 (0.48) ALOX15HSD17B10ALDH1A1GAAHPGD
SCHEMBL4461074 0.81 GAA (0.61) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL5521901 0.81 GAA (0.61) RORCALOX15HSD17B10ALDH1A1GAA
SCHEMBL122882 0.79 RORC (0.61) RORCALOX15HSD17B10ALDH1A1GAA

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-8273509-B2 Electrophotographic photoreceptor, and image forming device and electrophotographic photoreceptor cartridge using the same member cartridge MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-25 US disclosed
US-20090232551-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, IMAGE FORMING DEVICE USING SAME, AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-09-17 US disclosed