SCHEMBL23401449

SCHEMBL23401449

CCCc1nn(-c2ccccc2)c(O)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
GMNN O75496 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL23402506 0.94 USP2 (0.45) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23401840 0.92 USP2 (0.44) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23401063 0.92 USP2 (0.47) USP2ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL23403047 0.92 ALDH1A1 (0.49) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23403489 0.88 USP2 (0.41) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23402141 0.87 USP2 (0.45) USP2ALDH1A1MAPK1L3MBTL1CYP1A2
SCHEMBL23403011 0.86 USP2 (0.42) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23402962 0.85 TP53 (0.44) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23401765 0.85 USP2 (0.49) USP2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL23399584 0.85 NPC1 (0.52) USP2MAPK1KDM4ECYP1A2CYP3A4

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