SCHEMBL8997535

SCHEMBL8997535

CC(=O)/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.45
NPFFR1 Q9GZQ6 2/20 0.45
KDR P35968 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 4/20 0.40
GAA P10253 1/20 0.40
PDK1 Q15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
CFTR P13569 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR3E A5X5Y0 1/20 0.37

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
SCHEMBL8997541 1.00 NPFFR2 (0.45) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL8918957 0.89 ALDH1A1 (0.41) KDRHDAC1HDAC8HDAC6TDP1
SCHEMBL8918971 0.89 ALDH1A1 (0.41) KDRHDAC1HDAC8HDAC6TDP1
SCHEMBL8120081 0.85 NPFFR1 (0.45) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL8034221 0.85 NPFFR1 (0.45) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL4800117 0.82 NPFFR1 (0.49) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL2908923 0.82 NPFFR1 (0.49) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL4800123 0.82 NPFFR1 (0.49) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL1720610 0.80 NPFFR2 (0.53) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL2907979 0.80 KDR (0.44) NPFFR2NPFFR1KDRHDAC1HDAC8

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