SCHEMBL7796464

SCHEMBL7796464

CCCCCC(C)(C)c1cc(CC(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CA2 P00918 2/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RGS12 O14924 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
APEX1 P27695 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
GNAI1 P63096 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL7786554 0.86 IAPP (0.48) HSD17B10MAPTTRPV1KAT8PPARA
SCHEMBL7792896 0.84 HPGD (0.56) ALDH1A1CA2GAAHPGDHSD17B10
SCHEMBL11656640 0.84 TRPA1 (0.47)
Bicarbonate SCHEMBL10879195 0.83 ESR1 (0.44) ALDH1A1CA2GAAHPGDHSD17B10
SCHEMBL7794933 0.83 GAA (0.52) ALDH1A1GAAHPGDHSD17B10TSHR
SCHEMBL7796462 0.82 HPGD (0.54) ALDH1A1CA2GAAHPGDHSD17B10
SCHEMBL10879189 0.81 TRPA1 (0.41) ALDH1A1CA2GAAHPGDHSD17B10
SCHEMBL7792903 0.81 GAA (0.43) ALDH1A1GAAHPGDHSD17B10TSHR
SCHEMBL3814394 0.80 KDM4E (0.46) ALDH1A1GAAKDM4EMAPTKAT8
SCHEMBL3810032 0.80 HSP90AA1 (0.49) CA2GAATSHRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602300-B1 PHOTOCHROMIC COMPOSITION TOKUYAMA CORP (JP) 2019-06-12 EP disclosed
US-9234984-B2 Photochromic composition TOKUYAMA CORPORATION (JP) 2016-01-12 US disclosed
US-20130215488-A1 Photochromic Composition TOKUYAMA CORPORATION (JP) 2013-08-22 US disclosed
EP-2602300-A1 PHOTOCHROMIC COMPOSITION Tokuyama Corporation (JP) 2013-06-12 EP disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
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-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed