SCHEMBL8997524

SCHEMBL8997524

CC1=C(C(=O)O)C(c2ccc(Cl)c(C(F)(F)F)c2)C(C(=O)O)=C(C)N1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.46
CCR2 P41597 2/20 0.39
ANXA2 P07355 1/20 0.39
S100A10 P60903 1/20 0.39
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL8997531 0.87 L3MBTL1 (0.48) NOTUMKMT2ATSHRL3MBTL1
SCHEMBL8984913 0.80 L3MBTL1 (0.40) NOTUMANXA2S100A10KMT2ATSHR
SCHEMBL8136081 0.74 NOTUM (0.42) NOTUMCCR2KMT2AP2RX7L3MBTL1
SCHEMBL9120515 0.72 NPSR1 (0.62) NOTUMTSHRL3MBTL1
SCHEMBL8322567 0.70 KDR (0.38) NOTUMKMT2AP2RX7TSHR
SCHEMBL26970371 0.69 HTR3E (0.42) NOTUMCCR2
SCHEMBL8440699 0.69 NPSR1 (0.57) NOTUMTSHRL3MBTL1
SCHEMBL8602097 0.68 DHODH (0.40) NOTUMKMT2A
SCHEMBL9364046 0.68 NPSR1 (0.41) NOTUMANXA2S100A10P2RX7TSHR
SCHEMBL8158392 0.68 NOTUM (0.42) NOTUMKMT2AP2RX7L3MBTL1

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
US-5559139-A ANTIISCHEMIC AGENTS, MICROCIRCULATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US claimed
US-5559139-A ANTIISCHEMIC AGENTS, MICROCIRCULATION BAYER AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed