SCHEMBL10448804

SCHEMBL10448804

CC(=O)OC1C=CC=CC1(OC(C)=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 3/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ESR1 P03372 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HMGB1 P09429 1/20 0.31
HPGD P15428 1/20 0.31
GGT1 P19440 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL11520353 0.81 GAA (0.36) GAAPOLBTSHRHTTNPSR1
SCHEMBL10448815 0.70
SCHEMBL21526684 0.69 ELANE (0.37)
SCHEMBL21224108 0.68 HTT (0.37) TSHRKMT2AHTTALDH1A1MAPK1
SCHEMBL1157442 0.67 HTT (0.35) POLBTSHRKMT2AHTTALDH1A1
SCHEMBL11519877 0.66 PDK2 (0.32) TSHRALDH1A1OPRM1KDM4EESR1
SCHEMBL29043181 0.66
SCHEMBL8992376 0.66 KMT2A (0.39) GAAPOLBTSHRKMT2AHTT
SCHEMBL6883947 0.66 LMNA (0.41) GAAPOLBTSHRKMT2AALDH1A1
SCHEMBL17986192 0.65 ALDH1A1 (0.30) ALDH1A1

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-0375036-A1 Thermotropic liquid-crystalline aromatic copolymers ENICHEM S.p.A. (IT) 1990-06-27 EP disclosed