SCHEMBL23398583

SCHEMBL23398583

Cc1cc(O)n(CC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GLS O94925 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11617499 0.82 LMNA (0.41) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL23403189 0.82 NR1H2 (0.38) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL2608929 0.79 LMNA (0.62) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL23399998 0.78 GABRA1 (0.35) LMNAPOLBAPAF1KDM4EKMT2A
SCHEMBL23400860 0.78 HTR2A (0.32) LMNAPOLBAPAF1KDM4EKMT2A
SCHEMBL3042204 0.77 LMNA (0.44) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL587516 0.77
SCHEMBL15481075 0.76 LMNA (0.46) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL11128959 0.76 POLB (0.50) LMNAPOLBAPAF1KDM4EALDH1A1
SCHEMBL23399571 0.76 HDAC3 (0.33) LMNAKDM4EALDH1A1CYP3A4HPGD

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed