SCHEMBL9255291

SCHEMBL9255291

COc1c(C(OC(C)=O)OC(C)=O)c(=O)n(Cc2ccccc2)c2ccc(C)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
PLA2G2A P14555 4/20 0.45
MAPK8 P45983 1/20 0.45
DHFR P00374 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
PLA2G1B P04054 1/20 0.42
MARK4 Q96L34 1/20 0.42
PNP P00491 1/20 0.42
CCR2 P41597 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 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
SCHEMBL9257528 0.92 ALDH1A1 (0.46) KMT2ALMNAPLA2G2AMAPK8DHFR
SCHEMBL9252678 0.82 ELANE (0.52) KMT2ALMNAPLA2G2AMAPTALDH1A1
SCHEMBL9255117 0.81 RORA (0.47) KMT2APLA2G2AALDH1A1KDM4EMEN1
SCHEMBL9253426 0.80 KDM4E (0.55) KMT2ALMNAMAPTALDH1A1KDM4E
SCHEMBL9257319 0.79 EDNRB (0.46) LMNAPLA2G2AMAPTALDH1A1KDM4E
SCHEMBL8359675 0.77 KDM4E (0.56) KMT2ALMNAPLA2G2AMAPK8MAPT
SCHEMBL8355934 0.76 KMT2A (0.51) KMT2ALMNAMAPK8DHFRALDH1A1
SCHEMBL9257200 0.73 RORA (0.47) KMT2APLA2G2AMAPTALDH1A1KDM4E
SCHEMBL9257233 0.71 KDM4E (0.53) KMT2ALMNAMAPTALDH1A1KDM4E
SCHEMBL9740126 0.69 KMT2A (0.56) KMT2ALMNAPLA2G2AMAPK8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed