SCHEMBL23398587

SCHEMBL23398587

CCCCn1nc(CC(C)C)c(CC(C)C)c1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23400127 0.92 ESR1 (0.30) ESR1CNR1CNR2
SCHEMBL23401545 0.92 FFAR1 (0.36) ESR1CNR1CNR2KDM4EUSP2
SCHEMBL23399073 0.92 ESR1 (0.30) ESR1CNR1CNR2
SCHEMBL23401999 0.92 MPO (0.31) ESR1
SCHEMBL23400919 0.91 USP2 (0.31) USP2
SCHEMBL23398642 0.91 FFAR1 (0.32)
SCHEMBL23401903 0.90 KDM4E (0.32) KDM4EUSP2HPGDHSD17B10
SCHEMBL23400501 0.86 FFAR1 (0.36) KDM4EUSP2HPGDHSD17B10
SCHEMBL23401625 0.84 KDM4E (0.33) ESR1CNR1CNR2KDM4EUSP2
SCHEMBL23402876 0.84 NR1H3 (0.32) ESR1

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