SCHEMBL29527167

SCHEMBL29527167

CC(C)n1nc(C(=O)O)c2c(Cc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.39
▸ LDHB P07195 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ PTGER4 P35408 3/20 0.38
▸ NPY5R Q15761 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ASPH Q12797 1/20 0.35
▸ KDM8 Q8N371 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ HTR4 Q13639 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL22776609 1.00 LDHA (0.39) LDHALDHBSRD5A2PTGER4NPY5R
SCHEMBL22791390 0.90 KDM4E (0.35) LDHALDHBSRD5A2PTGER4NPY5R
SCHEMBL22776473 0.89 KDM4E (0.36) LDHALDHBPTGER4NPY5RL3MBTL1
SCHEMBL22776589 0.85 PTGER4 (0.41) LDHALDHBSRD5A2PTGER4NPY5R
SCHEMBL22777142 0.84 PTGER4 (0.53) PTGER4
SCHEMBL22777144 0.84 PTGER4 (0.53) PTGER4
SCHEMBL29614449 0.84 PTGER4 (0.53) PTGER4
SCHEMBL22776540 0.83 PTGER4 (0.42) LDHALDHBSRD5A2PTGER4NPY5R
SCHEMBL22791199 0.82 HTR4 (0.44) HTR4
SCHEMBL22776455 0.81 HTR4 (0.34) PTGER4NPY5RFTOHTR4TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983412-A1 PROSTAGLANDIN E2 RECEPTOR 4 ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-04-20 — — EP disclosed
CN-114206866-A Prostaglandin E2Receptor 4 antagonists and uses thereof 泰昂治疗公司 2022-03-18 — — CN disclosed
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