SCHEMBL23399252

SCHEMBL23399252

CCCc1nn(-c2ccccc2)c(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
KDM4C Q9H3R0 1/20 0.36
PDE4D Q08499 2/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL23401007 0.93 PDE4D (0.41) USP2ALDH1A1MAPK1L3MBTL1GRN
SCHEMBL23402166 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1GRNSORT1
SCHEMBL23399896 0.87 CDK8 (0.36) USP2ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL23400850 0.85 RIPK2 (0.42) ALDH1A1L3MBTL1LMNAGAAMAPT
SCHEMBL23398434 0.82 MAPK14 (0.37) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23401395 0.81 CACNA1H (0.39) ALDH1A1MAPK1L3MBTL1GRNSORT1
SCHEMBL23401205 0.80 KDM4C (0.53) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23401002 0.80 USP2 (0.46) USP2ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL23402658 0.79 USP2 (0.43) USP2ALDH1A1MAPK1GRNSORT1
SCHEMBL23401920 0.79 USP2 (0.43) USP2ALDH1A1MAPK1L3MBTL1GRN

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