SCHEMBL4452201

SCHEMBL4452201

CCCc1cccc(P(=O)(O)OCC)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.36
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
POLB P06746 1/20 0.33
DAO P14920 1/20 0.33
NR1I2 O75469 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ELANE P08246 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4454045 0.90 PLA2G2D (0.40) ALDH1A1MEN1KMT2APLA2G2DLTB4R
SCHEMBL4460867 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APLA2G2DPOLB
SCHEMBL4458166 0.87 PLA2G2D (0.46) ALDH1A1PLA2G2DLTB4RLTB4R2
SCHEMBL4462488 0.86 LTB4R (0.34) ALDH1A1MEN1KMT2APLA2G2DLTB4R
SCHEMBL4452198 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2ALTB4RLTB4R2
SCHEMBL4448725 0.83 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ALTB4RLTB4R2
SCHEMBL4451735 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APLA2G2DPOLB
SCHEMBL1537965 0.82 GABRA1 (0.36) ALDH1A1MEN1KMT2ALTB4RLTB4R2
SCHEMBL4455892 0.81 SRC (0.41) ALDH1A1LTB4RLTB4R2
SCHEMBL4460503 0.81 LTB4R (0.42) ALDH1A1LTB4RLTB4R2POLB

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