SCHEMBL9565558

SCHEMBL9565558

CCCC/C=C\Oc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RECQL P46063 1/20 0.55
HTT P42858 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 5/20 0.45
TSHR P16473 5/20 0.45
PTGS2 P35354 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.44

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
SCHEMBL1225718 1.00 KDM4E (0.55) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL29518581 1.00 KDM4E (0.55) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL31279976 0.94 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL10892005 0.94 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL6716587 0.94 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL9513712 0.94 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL9513715 0.94 KDM4E (0.52) KDM4EKMT2AMEN1RECQLHTT
Salicylic Acid SCHEMBL29596262 0.93 KDM4E (0.49) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL30668445 0.88 KDM4E (0.48) KDM4EKMT2AMEN1RECQLHTT
SCHEMBL4667495 0.86 MEN1 (0.50) KDM4EKMT2AMEN1RECQLHTT

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
EP-3966384-B1 FRESHENING COMPOSITIONS WITH ALKOXYLATED PHENOLS PROCTER & GAMBLE (US) 2023-05-03 EP claimed
EP-0543470-A1 Cyclic isolongifolanone-acetals, their preparation and use Dragoco Gerberding & Co Aktiengesellschaft (DE) 1993-05-26 EP disclosed
EP-0147947-A1 Insecticidal composition CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-07-10 EP disclosed