SCHEMBL10523769

SCHEMBL10523769

CCCCCOc1[nH]c2ccccc2c1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
EGFR P00533 2/20 0.51
HSD17B10 Q99714 3/20 0.51
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
MCL1 Q07820 3/20 0.45
HPGD P15428 1/20 0.44
OXER1 Q8TDS5 1/20 0.44

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
SCHEMBL2527739 0.81 KDM4E (0.57) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL27821122 0.79 GABRP (0.48) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL5135351 0.79 KDM4E (0.57) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL28786423 0.78 OXER1 (0.60) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL7869164 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL27452778 0.73 MCL1 (0.53) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL3743077 0.73 KDM4E (0.67) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL29612371 0.72 KDM4E (1.00) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL379103 0.72 KDM4E (1.00) KDM4EALDH1A1GAAMAPTCASP1
Hydrochloric Acid SCHEMBL28521562 0.72 KDM4E (0.65) KDM4EALDH1A1GAAMAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175551-B1 ANALGESIC AND ANTIINFLAMMATORY 1,3-DIACYL-2-OXINDOLE COMPOUNDS PFIZER INC. (US) 1989-05-10 EP disclosed