SCHEMBL23398681

SCHEMBL23398681

CCCc1c(O)nn(-c2ccc(OC)cc2)c1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE4D Q08499 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 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
SCHEMBL23402877 0.93 PDE4D (0.39) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23398846 0.93 PDE4D (0.41) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23399414 0.93 ALDH1A1 (0.41) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23398462 0.93 PDE4D (0.40) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23401369 0.89 PDE4D (0.42) MAPTALDH1A1PDE4DLMNAKMT2A
SCHEMBL23403617 0.89 PDE4D (0.44) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23401927 0.88 PDE4D (0.38) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23400284 0.88 ALDH1A1 (0.39) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23398813 0.86 PDE4D (0.50) MAPTALDH1A1PDE4DLMNACYP1A2
SCHEMBL23402826 0.84 TP53 (0.43) MAPTALDH1A1LMNACYP1A2CYP3A4

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