SCHEMBL23398452

SCHEMBL23398452

CCc1[nH]n(-c2ccc(C)cc2)c(=O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 7/20 0.40
RAB9A P51151 2/20 0.39
ELANE P08246 2/20 0.39
F2 P00734 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
KDM4E B2RXH2 5/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
MT-CO1 P00395 1/20 0.38
MT-CO2 P00403 1/20 0.38
PKM P14618 3/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL23403615 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AELANE
SCHEMBL23402295 0.86 MPI (0.51) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL23402829 0.85 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTRAB9AELANE
SCHEMBL23399510 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL23398814 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AELANE
SCHEMBL23402525 0.82 GAA (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL23400216 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AELANE
SCHEMBL23402236 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL23402127 0.81 ALKBH5 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL23403359 0.78 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTRAB9AELANE

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