SCHEMBL23716069

SCHEMBL23716069

CCc1ccc(C/C(N)=C/C=C(C)C)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28166423 0.79 BACE1 (0.42) DHFRBACE1MEN1GAAKMT2A
SCHEMBL4683962 0.75 CA2 (0.50) DHFRBACE1
SCHEMBL23715780 0.75 IDO1 (0.42) GAAKMT2A
SCHEMBL23716267 0.75 SLC6A4 (0.34) BACE1GAAKMT2A
SCHEMBL23715988 0.74 IDO1 (0.40)
SCHEMBL23716015 0.73 PTPN7 (0.34) KMT2AALOX15SMN1; SMN2
SCHEMBL23716362 0.73 IDO1 (0.39) SMN1; SMN2
SCHEMBL11041895 0.70 HPGD (0.53) MEN1GAAKMT2A
SCHEMBL4683959 0.68 DHFR (0.38) DHFRBACE1GAAKMT2AALOX15
SCHEMBL27999728 0.68 IAPP (0.41) DHFRBACE1GAAKMT2AALOX15

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed