SCHEMBL23399427

SCHEMBL23399427

CCCc1c(CC(C)C)nn(-c2ccccc2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.33
DHODH Q02127 1/20 0.32
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
APLNR P35414 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23401730 0.94 KDM4E (0.40) KDM4EALDH1A1L3MBTL1USP2HPGD
SCHEMBL23400924 0.91 KDM4E (0.38) KDM4EALDH1A1L3MBTL1USP2HSD11B1
SCHEMBL23401628 0.91 KDM4E (0.41) KDM4EALDH1A1L3MBTL1USP2HPGD
SCHEMBL23400955 0.91 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1USP2HPGD
SCHEMBL23402731 0.88 ALDH1A1 (0.38) KDM4EALDH1A1USP2HSD17B10HSD11B1
SCHEMBL23400354 0.86 DHODH (0.39) ALDH1A1USP2HSD11B1DHODHMAPT
SCHEMBL23401420 0.86 KDM4E (0.37) KDM4EALDH1A1L3MBTL1MAPTHSP90AA1
SCHEMBL23398377 0.85 KDM4E (0.39) KDM4EALDH1A1L3MBTL1USP2HPGD
SCHEMBL23398608 0.84 POLB (0.37) KDM4EALDH1A1L3MBTL1HSD11B1MAPT
SCHEMBL23402794 0.83 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1USP2HPGD

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