SCHEMBL4451735

SCHEMBL4451735

CCOP(=O)(O)c1cccc(CC)c1CC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
TAAR1 Q96RJ0 2/20 0.37
HTR1A P08908 1/20 0.37
POLB P06746 2/20 0.36
PLA2G2D Q9UNK4 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NR1I2 O75469 1/20 0.35
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4451699 0.87 PLA2G2D (0.41) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4448728 0.85 GABRA1 (0.39) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4452194 0.84 PLA2G2D (0.48) ALDH1A1PLA2G2D
SCHEMBL12229785 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL11039468 0.83 GABRA1 (0.38) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4451733 0.83 MEN1 (0.50) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4452201 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4458095 0.81 GABRA1 (0.34) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL1537947 0.80 GABRA1 (0.45) ALDH1A1GABRA1GABRB2TAAR1HTR1A
SCHEMBL4460867 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBPLA2G2D

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