SCHEMBL20596127

SCHEMBL20596127

CCCCCc1ccc(C=CC(O)C(CO)NC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 1.00
SPHK2 Q9NRA0 2/20 1.00
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TRPM2 O94759 2/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
ASAH2 Q9NR71 1/20 0.40
TRPA1 O75762 1/20 0.40
PLA2G1B P04054 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL120911 1.00 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL14633002 1.00 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL20592376 1.00 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL18194573 1.00 SPHK1 (1.00) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL23519479 0.99 SPHK1 (0.97) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL13896120 0.91 SPHK1 (0.83) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL12450365 0.88 SPHK1 (0.79) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL13499031 0.88 SPHK1 (0.79) SPHK1SPHK2
SCHEMBL20168989 0.87 SPHK1 (0.77) SPHK1SPHK2CYP3A4CYP2D6CYP2C9
SCHEMBL22861894 0.87 SPHK1 (0.77) SPHK1SPHK2CYP3A4CYP2D6CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024247648-A1 TUMOR THERAPEUTIC AGENT, AND COMPLEX 学校法人兵庫医科大学 2024-12-05 WO disclosed
EP-4121025-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CORONAVIRUS INFECTION Enzo Biochem, Inc. (US) 2023-01-25 EP disclosed
WO-2021188326-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CORONAVIRUS INFECTION ENZO BIOCHEM, INC. (US) 2021-09-23 WO disclosed
EP-3810285-A1 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS Enzo Biochem, Inc. (US) 2021-04-28 EP disclosed
EP-3641743-A2 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS Enzo Biochem, Inc. (US) 2020-04-29 EP disclosed
WO-2018237379-A2 SPHINGOSINE PATHWAY MODULATING COMPOUNDS FOR THE TREATMENT OF CANCERS ENZO BIOCHEM, INC. (US) 2018-12-27 WO disclosed