SCHEMBL4099177

SCHEMBL4099177

COC(=O)C1=CCC2C3C=CC(C3)C12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
KCNH2 Q12809 1/20 0.41
PKM P14618 1/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 2/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4095474 0.78 HPGD (0.36) SMN1; SMN2HPGDKDM4EALDH1A1CYP3A4
SCHEMBL2705426 0.75 SMN1; SMN2 (0.50) SMN1; SMN2PKMTSHRHPGDKDM4E
SCHEMBL16900345 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KCNH2PKMTSHRHPGD
SCHEMBL4156385 0.71 SMN1; SMN2 (0.42) SMN1; SMN2PKMTSHRHPGDKDM4E
SCHEMBL9278739 0.71 KMT2A (0.35) SMN1; SMN2PKMALDH1A1CYP1A2CYP3A4
SCHEMBL17992238 0.69 SMN1; SMN2 (0.46) SMN1; SMN2PKMTSHRHPGDKDM4E
SCHEMBL222067 0.67 TSHR (0.36) TSHRKDM4EALDH1A1CYP3A4CYP2C19
SCHEMBL9063836 0.67 ALDH1A1 (0.38) SMN1; SMN2TSHRHTTALDH1A1TDP1
SCHEMBL2340043 0.66 KCNH2 (0.49) SMN1; SMN2KCNH2TSHRHPGDKDM4E
SCHEMBL27207905 0.66 MAPK1 (0.49) KCNH2TSHRHPGDKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209705-A1 THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM AND RETARDATION FILM JSR CORPORATION (JP) 2009-08-20 US disclosed
US-7449532-B2 Cycloolefin copolymer obtained by ring-opening polymerization, use thereof, and process for producing retardation plate comprising the copolymer JSR CORPORATION (JP) 2008-11-11 US disclosed
US-20070179264-A1 Copolymer of 8-methyl-8-methoxycarbonyltetracyclo[4.4.0.12,5.17,10]-3-dodecene or derivative with tricyclo[4.3.0.12,5]deca-3,7-diene or derivative; can be stretched even at low temperature around the glass transition temperature without causing cloudiness; excellent heat resistance and optical properties JSR CORPORATION (JP) 2007-08-02 US disclosed
EP-1795559-A1 THERMOPLASTIC RESIN COMPOSITION, OPTICAL FILM AND RETARDATION FILM JSR Corporation (JP) 2007-06-13 EP disclosed