SCHEMBL4447604

SCHEMBL4447604

Cc1ccc(C(OP(=O)(O)O)c2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
HMGCR P04035 2/20 0.31
PTPN1 P18031 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MRGPRX4 Q96LA9 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
SCHEMBL4453671 0.97 ALDH1A1 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL9330522 0.87 ALDH1A1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL22100 0.85 TRPV1 (0.34) ALDH1A1LMNAHMGCRTSHR
SCHEMBL2334334 0.83 TRPV1 (0.34) ALDH1A1CA2LMNAHMGCRTSHR
SCHEMBL888650 0.82 TRPV1 (0.34) ALDH1A1LMNAHMGCRTSHR
SCHEMBL9660052 0.82 TRPV1 (0.34) ALDH1A1LMNAHMGCRTSHR
SCHEMBL1132180 0.82 TRPV1 (0.34) ALDH1A1LMNAHMGCRTSHR
SCHEMBL4453503 0.81 HMGCR (0.37) ALDH1A1POLBSMN1; SMN2LMNATRPA1
SCHEMBL4453768 0.81 TAS1R3 (0.35) SMN1; SMN2LMNATRPA1CHRM1SLC6A2
SCHEMBL4957604 0.79 HMGCR (0.38) ALDH1A1POLBSMN1; SMN2LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531605-B2 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU KOSAN CO., LTD. (JP) 2009-05-12 US disclosed
EP-1375538-B1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU KOSAN CO (JP) 2008-01-09 EP disclosed
US-20040106738-A1 Process for producing polyolefin resin composition and polypropylene composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1375538-A1 PROCESS FOR PRODUCING POLYOLEFIN RESIN COMPOSITION AND POLYPROPYLENE COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-01-02 EP disclosed