SCHEMBL16408738

SCHEMBL16408738

Cc1ccc(/C=C\CN2C(=O)C(F)(F)C[C@@H]2C=O)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGER4 P35408 5/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PTGER2 P43116 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.30
▸ MAPT P10636 4/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 4/20 0.30
▸ MEN1 O00255 3/20 0.30
▸ HPGD P15428 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TNFRSF1A P19438 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ RECQL P46063 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
SCHEMBL15551554 0.82 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL15551553 0.82 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL16819439 0.81 PTGER4 (0.44) PTGER4PTGER2HPGDLMNAMAPK1
SCHEMBL22024693 0.81 PTGER4 (0.44) PTGER4PTGER2HPGDLMNAMAPK1
SCHEMBL16819436 0.81 PTGER4 (0.44) PTGER4PTGER2HPGDLMNAMAPK1
SCHEMBL15587052 0.81 PTGER4 (0.44) PTGER4PTGER2HPGDLMNAMAPK1
SCHEMBL18123907 0.78 PTGER4 (0.35) PTGER4PTGER2
SCHEMBL18123906 0.78 PTGER4 (0.35) PTGER4PTGER2
SCHEMBL18123909 0.78 PTGER4 (0.35) PTGER4PTGER2
SCHEMBL17808005 0.69 PTGER4 (0.38) PTGER4PTGER2

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
WO-2015009991-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2015-01-22 — — WO disclosed
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