SCHEMBL9160732

SCHEMBL9160732

CCCCOc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
NEK2 P51955 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
AHR P35869 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL9160735 1.00 KDM4E (0.47) KDM4EALDH1A1PKMHPGDNEK2
SCHEMBL9161089 0.81 TSHR (0.50) ALDH1A1HPGDCA12CA1CA2
SCHEMBL14964565 0.79 MAPT (0.62) KDM4EALDH1A1HPGDTSHRAHR
SCHEMBL9365521 0.76 CISD1 (0.56) KDM4EALDH1A1HPGD
SCHEMBL9365514 0.76 CISD1 (0.56) KDM4EALDH1A1HPGD
SCHEMBL27441056 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL20156660 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL27440551 0.75 NR5A1 (0.50) KDM4EALDH1A1HPGDTSHRAHR
SCHEMBL13766390 0.75 HPGD (0.46) KDM4EALDH1A1PKMHPGDNEK2
SCHEMBL10465934 0.74 NPC1 (0.58) KDM4EALDH1A1PKMNPC1RAB9A

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
US-5410630-A Optical article containing a polymer exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1995-04-25 US disclosed