SCHEMBL23401545

SCHEMBL23401545

CCCCc1c(CC(C)C)nn(CCCC)c1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR1 P03372 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL23400501 0.94 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23399073 0.94 ESR1 (0.30) ESR1CNR1CNR2
SCHEMBL23398587 0.92 ESR1 (0.31) HPGDKDM4EUSP2HSD17B10ESR1
SCHEMBL23400127 0.91 ESR1 (0.30) ESR1CNR1CNR2
SCHEMBL23398642 0.89 FFAR1 (0.32) FFAR1
SCHEMBL23400736 0.89 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23401539 0.88 FFAR1 (0.36) FFAR1HPGDKDM4EUSP2HSD17B10
SCHEMBL23400919 0.86 USP2 (0.31) USP2
SCHEMBL23401625 0.86 KDM4E (0.33) HPGDKDM4EUSP2HSD17B10NR1H3
SCHEMBL23402468 0.85 HPGD (0.36) HPGDKDM4ENPC1MAPK1HTT

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