SCHEMBL9745598

SCHEMBL9745598

CCCCCCCCCCCCCCCCCCSc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
PLK1 P53350 4/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6304397 1.00 HPGD (0.53) HPGDPLK1THRATHRBPOLB
SCHEMBL5316777 1.00 HPGD (0.53) HPGDPLK1THRATHRBPOLB
SCHEMBL9491957 1.00 HPGD (0.53) HPGDPLK1THRATHRBPOLB
SCHEMBL5683064 0.98 HPGD (0.54) HPGDPLK1THRATHRBPOLB
SCHEMBL10528635 0.94 SLC2A1 (0.51) HPGDPLK1THRATHRBPOLB
SCHEMBL424971 0.91 HPGD (0.56) HPGDPOLBMAOAMAOBNPC1
SCHEMBL5169781 0.91 POLB (0.54) HPGDPOLBNPC1RAB9AALDH1A1
SCHEMBL11569857 0.91 THRB (0.56) PLK1THRATHRBMAOAMAOB
SCHEMBL11567371 0.91 THRB (0.56) PLK1THRATHRBMAOAMAOB
SCHEMBL21575599 0.91 THRB (0.56) PLK1THRATHRBMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed