SCHEMBL29066902

SCHEMBL29066902

CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCC(=O)OCc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
PAM P19021 2/20 0.44
PTPN11 Q06124 2/20 0.44
DGKA P23743 1/20 0.44
PLK1 P53350 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAPT P10636 1/20 0.41
CES2 O00748 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
SCHEMBL31509765 0.96 KDM4E (0.54) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL23844744 0.96 KDM4E (0.54) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL30203380 0.96 KDM4E (0.54) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL23832315 0.95 KDM4E (0.55) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL23845061 0.85 TSHR (0.48) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL11615588 0.84 TP53 (0.48) KDM4EKMT2AMEN1RECQLALDH1A1
SCHEMBL30525955 0.84 DGKA (0.56) ALDH1A1TSHRLMNAPAMDGKA
SCHEMBL17938493 0.84 DGKA (0.56) ALDH1A1TSHRLMNAPAMDGKA
SCHEMBL17938461 0.84 DGKA (0.56) ALDH1A1TSHRLMNAPAMDGKA
SCHEMBL17938487 0.83 CYP4F2 (0.54) TSHRTP53CYP3A4MAPK1PAM

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-116496334-A Antiviral inhibitor and application thereof in pharmacy 上海和誉生物医药科技有限公司 2023-07-28 CN disclosed