SCHEMBL8329494

SCHEMBL8329494

C=CCCOc1ccc2cc(C(=O)Oc3ccc(OCC)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL8328700 0.95 L3MBTL1 (0.56) KMT2AL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL8328036 0.93 L3MBTL1 (0.53) KMT2AL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL8331355 0.92 L3MBTL1 (0.52) KMT2AL3MBTL1ALDH1A1LMNAMAPK1
SCHEMBL8332709 0.88 MAPT (0.56) KMT2ALMNACCNCCDK8PDGFRB
SCHEMBL13806837 0.83 L3MBTL1 (0.59) KMT2AL3MBTL1ALDH1A1LMNANPC1
SCHEMBL20628415 0.82 LMNA (0.60) KMT2AL3MBTL1ALDH1A1LMNANPC1
SCHEMBL23556207 0.81 L3MBTL1 (0.52) KMT2AL3MBTL1ALDH1A1LMNACCNC
SCHEMBL738854 0.79 MAPT (0.56) KMT2AL3MBTL1ALDH1A1LMNANPC1
SCHEMBL5850083 0.79 MAPT (0.56) KMT2AL3MBTL1ALDH1A1LMNANPC1
SCHEMBL15672803 0.79 HGFAC (0.59) KMT2AALDH1A1LMNACCNCCDK8

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
EP-0540609-B1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS PFIZER (US) 1999-10-13 EP disclosed
US-5900145-A CROSSLINKED POLYSILOXANE LAYER HAVING AN AROMATIC LIQUID CRYSTAL SIDECHAIN INCLUDING A 2,6-NAPHTHALENE OR 4,4'-DIPHENYLENE GROUP; SEPARATION OF ISOMERS OF AROMATIC HYDROCARBONS, HALOGENATED AROMATIC TOXIC HYDROCARBONS J & K ENVIRONMENTAL LTD. (CA) 1999-05-04 US disclosed