SCHEMBL7273073

SCHEMBL7273073

CCCC(=O)C(=Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.43
MAOB P27338 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
FBP1 P09467 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RXRA P19793 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
SCHEMBL5381429 0.84 MAOB (0.51) P4HBMAOBFBP1MEN1KMT2A
SCHEMBL9478264 0.82 THRB (0.47) P4HBMAOBFBP1MEN1KMT2A
SCHEMBL9478271 0.82 THRB (0.47) P4HBMAOBFBP1MEN1KMT2A
SCHEMBL10747237 0.82 THRB (0.47) P4HBMAOBFBP1MEN1KMT2A
SCHEMBL7273129 0.80 MEN1 (0.54) MEN1KMT2ALMNAMAPTCYP3A4
SCHEMBL5094449 0.78 EPHX2 (0.55) P4HBMAOBALDH1A1POLBMEN1
SCHEMBL5094454 0.78 EPHX2 (0.55) P4HBMAOBALDH1A1POLBMEN1
SCHEMBL7271189 0.77 ALDH1A1 (0.56) MAOBALDH1A1FBP1MEN1KMT2A
SCHEMBL11865025 0.77 GLO1 (0.53) P4HBMAOBFBP1MEN1KMT2A
SCHEMBL18227995 0.77 MEN1 (0.60) ALDH1A1POLBMEN1KMT2ANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed