SCHEMBL4448595

SCHEMBL4448595

CCC(OP(O)O)(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KCNN4 O15554 1/20 0.34
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
ESR1 P03372 1/20 0.34
TRPA1 O75762 3/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8006487 0.77 LMNA (0.35) LMNAKCNH2OPRM1OPRD1CNR1
SCHEMBL4451205 0.75 ALDH1A1 (0.38) LMNAKCNH2CNR1CNR2CHRM3
SCHEMBL3890290 0.72 KCNN4 (0.41) KCNN4CHRM3ALDH1A1CYP2D6CYP2C19
SCHEMBL11770121 0.72 SLC6A4 (0.39) LMNAKCNH2CHRM3ADRA1AOPRK1
SCHEMBL9638795 0.72 KCNN4 (0.41) LMNAKCNN4CHRM3ALDH1A1CYP2D6
SCHEMBL4452178 0.71 LMNA (0.39) LMNAKCNN4TRPA1ALDH1A1CYP2C19
SCHEMBL4459729 0.69 ALDH1A1 (0.35) LMNAKCNN4HTR2AADRA1AALDH1A1
SCHEMBL21401129 0.68 KCNH2 (0.38) LMNAKCNN4KCNH2OPRM1OPRD1
SCHEMBL1058675 0.67 LMNA (0.40) LMNAKCNN4CNR1CNR2HTR2A
SCHEMBL1058678 0.67 LMNA (0.40) LMNAKCNN4CNR1CNR2HTR2A

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