SCHEMBL4450169

SCHEMBL4450169

CCc1cccc(POC2CCC2)c1CC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4452192 0.94 TAAR1 (0.36) TAAR1HTR1AGABRA1GABRB2MAPT
SCHEMBL4454847 0.82
SCHEMBL4451710 0.80 ALOX5 (0.32)
SCHEMBL4455680 0.75 GABRA1 (0.39) TAAR1HTR1AGABRA1GABRB2MAPT
SCHEMBL11630937 0.74 GABRA1 (0.44) TAAR1HTR1AGABRA1GABRB2KDM4E
SCHEMBL4458013 0.74 GABRA1 (0.38) TAAR1HTR1AGABRA1GABRB2MAPT
SCHEMBL4454034 0.71 ATM (0.35)
SCHEMBL4450212 0.71 GABRA1 (0.35) TAAR1HTR1AGABRA1GABRB2MAPT
SCHEMBL4454772 0.70 GABRA1 (0.34) TAAR1HTR1AGABRA1GABRB2MAPT
SCHEMBL4462062 0.69 TDP1 (0.36) TAAR1HTR1AGABRA1GABRB2MEN1

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed