SCHEMBL9401940

SCHEMBL9401940

O=C1OC(=O)c2c1c(Cl)cc1c(C(=O)O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
KDM4E B2RXH2 3/20 0.43
TSHR P16473 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FTO Q9C0B1 1/20 0.40
PBRM1 Q86U86 1/20 0.40
LMNA P02545 1/20 0.39
TTR P02766 4/20 0.39
PTPN1 P18031 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL9401859 0.79 TYMS (0.51) TYMSKDM4ETSHRNR4A1NR4A2
SCHEMBL4108399 0.75 ALDH1A1 (0.56) KDM4ETSHRNR4A1NR4A2NR4A3
SCHEMBL2884593 0.75 ALDH1A1 (0.45) KDM4ETSHRALDH1A1MAPTHPGD
SCHEMBL475904 0.74 TYMS (0.61) TYMSKDM4ENR4A1NR4A2NR4A3
SCHEMBL4098387 0.70 TSHR (0.63) KDM4ETSHRNR4A1NR4A2NR4A3
SCHEMBL4960932 0.69 TYMS (0.40) TYMSKDM4ETSHRALDH1A1MEN1
SCHEMBL2694307 0.69 TYMS (0.50) TYMSKDM4ETSHRNR4A1NR4A2
SCHEMBL5795357 0.69 WDR5 (0.53) TYMSKDM4ETSHRNR4A1NR4A2
SCHEMBL9401930 0.69 ALDH1A1 (0.42) TYMSKDM4ETSHRALDH1A1MAPT
SCHEMBL6736118 0.69 TYMS (0.54) TYMSKDM4ENR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342739-A Coating a substrate with a polyamic acid modified by an amino- or hydroxy-substituted phenol; shelf life CHISSO CORPORATION (JP) 1994-08-30 US disclosed
EP-0526650-A1 PHOTOSENSITIVE POLYMER COMPOSITION AND PATTERN FORMATION CHISSO CORPORATION (JP) 1993-02-10 EP disclosed