SCHEMBL4444930

SCHEMBL4444930

Cc1ccc(CC(=O)O)cc1.[CaH2]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.60
CAMK2A Q9UQM7 1/20 0.60
AKR1B1 P15121 1/20 0.58
CTBP2 P56545 1/20 0.57
KLKB1 P03952 1/20 0.57
CTSB P07858 1/20 0.57
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
ABCC4 O15439 1/20 0.56
PTGS1 P23219 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FFAR1 O14842 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL2525145 0.98 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL92022 0.98 CA2 (0.62) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL28830130 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Methyl Alcohol SCHEMBL8762291 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Phosphine SCHEMBL27524653 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Hydrochloric Acid SCHEMBL2529407 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL388578 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
SCHEMBL4452518 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Ammonia Solution, Strong SCHEMBL22042020 0.95 CA2 (0.60) CA2CAMK2AAKR1B1CTBP2KLKB1
Acetone SCHEMBL2930477 0.93 CA2 (0.58) CA2CAMK2AAKR1B1CTBP2KLKB1

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
EP-1630201-B1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES (JP) 2014-12-10 EP disclosed
US-7569635-B2 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2009-08-04 US disclosed
US-20070021549-A1 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2007-01-25 US disclosed
EP-1630201-A1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES, INC. (JP) 2006-03-01 EP disclosed