SCHEMBL23401002

SCHEMBL23401002

CCCc1nn(-c2ccccc2)c(CCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
ALDH1A1 P00352 7/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
KDM4C Q9H3R0 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 1/20 0.38
NR4A3 Q92570 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
KMT2A Q03164 1/20 0.38

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
SCHEMBL23400110 0.92 USP2 (0.43) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23401712 0.92 USP2 (0.43) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23403024 0.92 ALDH1A1 (0.48) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23403529 0.92 USP2 (0.45) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23403438 0.88 PDE4A (0.43) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23402738 0.87 CACNA1H (0.46) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23403479 0.87 CACNA1H (0.44) USP2ALDH1A1MAPK1L3MBTL1MAOA
SCHEMBL23400804 0.86 ALDH1A1 (0.38) USP2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL23401205 0.84 KDM4C (0.53) USP2ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL23402622 0.84 USP2 (0.49) USP2ALDH1A1MAPK1LMNAGAA

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