SCHEMBL29080260

SCHEMBL29080260

CC(=O)c1cccc(OC(=O)O)c1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL7613367 0.82 KMT2A (0.49) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL26806952 0.82 KDM4E (0.60) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL29361191 0.82 KDM4E (0.60) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL2986261 0.81 CA9 (0.59) KMT2AMAPK1KDM4EALDH1A1LMNA
SCHEMBL8443029 0.79 KMT2A (0.46) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL6857330 0.79 CTNNB1 (0.54) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL10831160 0.78 KMT2A (0.45) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL4398301 0.77 KDM4E (0.54) KMT2AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL600052 0.77 THRB (0.56) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11432522 0.77 MAPK1 (0.49) KMT2AMAPK1KDM4EHSD17B10ALDH1A1

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
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed