SCHEMBL23399754

SCHEMBL23399754

CCCc1c(CC)c(O)nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
NR4A3 Q92570 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 5/20 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
GMNN O75496 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 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
SCHEMBL23401740 0.92 USP2 (0.46) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23399616 0.91 CNR1 (0.42) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23400799 0.89 NR4A3 (0.46) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23401225 0.88 USP2 (0.46) USP2LMNATSHRALDH1A1RAB9A
SCHEMBL23400452 0.88 USP2 (0.45) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23400171 0.86 TP53 (0.40) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23398392 0.86 USP2 (0.49) USP2LMNATSHRALDH1A1RAB9A
SCHEMBL23399760 0.85 USP2 (0.41) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23399865 0.85 USP2 (0.43) USP2LMNATSHRALDH1A1KDM4E
SCHEMBL23403013 0.83 USP2 (0.44) USP2LMNATSHRRAB9ANPC1

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