SCHEMBL7944820

SCHEMBL7944820

CCOc1c(C(=O)OCCO)cccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.39
NLRP3 Q96P20 1/20 0.39
HSD17B10 Q99714 3/20 0.37
NR1H4 Q96RI1 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL7943067 0.86 NR1H4 (0.48) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL7943323 0.80 CA2 (0.47) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL7942361 0.80 RXRA (0.38) ALDH1A1TSHRCYP3A4MAPK1LMNA
SCHEMBL7943266 0.80 RXRA (0.50) HSD17B10CYP2C9CYP2C19GAAKMT2A
SCHEMBL7796086 0.80 LMNA (0.44) ALDH1A1MAPK1LMNANLRP3HSD17B10
SCHEMBL8432825 0.79 NLRP3 (0.40) ALDH1A1L3MBTL1LMNANLRP3NR1H4
SCHEMBL7942330 0.77 CYP4F2 (0.46) ALDH1A1TDP1NLRP3GAA
SCHEMBL16952846 0.76 CA2 (0.39) ALDH1A1TSHRTDP1TP53NLRP3
SCHEMBL7944734 0.76 CA12 (0.39) ALDH1A1TSHRLMNAHSD17B10SCN1A
SCHEMBL16957739 0.76 CA2 (0.36) ALDH1A1TSHRTDP1TP53NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed