SCHEMBL7943323

SCHEMBL7943323

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TSHR P16473 5/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 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 0.82 NR1H4 (0.48) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL7944820 0.80 ALDH1A1 (0.43) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL11553487 0.79 TDP1 (0.56) CA2ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL28465355 0.79 CA2 (0.55) CA2ALDH1A1TSHRGABRA1GABRB2
SCHEMBL7941411 0.78 NR5A2 (0.49) CA2ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL7942933 0.78 SMN1; SMN2 (0.49) CA2ALDH1A1MAPK1LMNAHSD17B10
SCHEMBL28348492 0.78 CA2 (0.53) CA2ALDH1A1TSHRGABRA1GABRB2
SCHEMBL7940022 0.74 CYP4F2 (0.43) CA2ALDH1A1GABRA1GABRB2TDP1
SCHEMBL36533 0.74 ALDH1A1 (0.67) ALDH1A1TSHRTDP1L3MBTL1TP53
SCHEMBL7940297 0.74 CA2 (0.48) CA2ALDH1A1TSHRGABRA1GABRB2

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