SCHEMBL7941351

SCHEMBL7941351

CC(C)(C)c1cccc(CCCC(=O)OCCO)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CA2 P00918 1/20 0.40
IAPP P10997 4/20 0.37
VCAM1 P19320 2/20 0.37
MGLL Q99685 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7940022 0.92 CYP4F2 (0.43) CYP4F2CYP4A11CA2IAPPGABRA1
SCHEMBL7933896 0.85 CYP4F2 (0.40) CYP4F2CYP4A11VCAM1MGLLALDH1A1
SCHEMBL7944981 0.81 HSPA5 (0.49) CYP4F2CYP4A11CA2VCAM1MGLL
SCHEMBL27918614 0.79 CA2 (0.48) CA2IAPPVCAM1GABRA1GABRB2
SCHEMBL6567771 0.79 CA2 (0.55) CA2IAPPGABRA1GABRB2ALDH1A1
SCHEMBL7933616 0.77 GAA (0.49) VCAM1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28818299 0.77 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1TDP1CYP1A2
SCHEMBL6567369 0.77 CA2 (0.53) CA2IAPPGABRA1GABRB2ALDH1A1
SCHEMBL7942488 0.77 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1TDP1
SCHEMBL6568673 0.76 CA2 (0.52) CA2IAPPGABRA1GABRB2ALDH1A1

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-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