SCHEMBL4957604

SCHEMBL4957604

CCc1ccc(C(OP(=O)(O)O)c2ccc(CC)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HSPA5 P11021 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 1/20 0.32
SRC P12931 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4453503 0.99 HMGCR (0.37) HMGCRSMN1; SMN2HSPA5CYP2C19POLB
SCHEMBL4451531 0.99 HMGCR (0.37) HMGCRSMN1; SMN2HSPA5CYP2C19POLB
SCHEMBL2334334 0.81 TRPV1 (0.34) HMGCRCYP2C19MEN1GAAKMT2A
SCHEMBL4445850 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CYP2C19POLBS1PR1S1PR3
SCHEMBL1132180 0.79 TRPV1 (0.34) HMGCRCYP2C19MEN1GAAKMT2A
SCHEMBL4447604 0.79 ALDH1A1 (0.34) HMGCRSMN1; SMN2POLBTRPA1ALDH1A1
SCHEMBL9660052 0.79 TRPV1 (0.34) HMGCRCYP2C19MEN1GAAKMT2A
SCHEMBL4453671 0.79 ALDH1A1 (0.34) HMGCRSMN1; SMN2POLBTRPA1ALDH1A1
SCHEMBL888650 0.79 TRPV1 (0.34) HMGCRCYP2C19MEN1GAAKMT2A
SCHEMBL22100 0.79 TRPV1 (0.34) HMGCRCYP2C19MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed