SCHEMBL7273129

SCHEMBL7273129

CCCC(=O)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
AKR1C3 P42330 1/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
AKR1C1 Q04828 1/20 0.43
RECQL P46063 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL10665879 0.94 MEN1 (0.59) MEN1KMT2AHTTLMNATP53
SCHEMBL28144455 0.88 KMT2A (0.53) MEN1KMT2AHTTLMNACES2
SCHEMBL10464567 0.85 CYP1A2 (0.41) MEN1KMT2AHTTLMNATP53
SCHEMBL10434088 0.85 CYP1A2 (0.41) MEN1KMT2AHTTLMNATP53
SCHEMBL28224848 0.82 MEN1 (0.79) MEN1KMT2AHTTLMNACES2
SCHEMBL28931550 0.82 AKR1C3 (0.47) LMNAAKR1C3CYP3A4KDM4EMAPT
SCHEMBL7271189 0.81 ALDH1A1 (0.56) MEN1KMT2ALMNAKDM4EMAPT
SCHEMBL7273342 0.80 CES2 (0.45) MEN1KMT2ALMNACES2CES1
SCHEMBL14528490 0.80 KMT2A (0.53) MEN1KMT2ALMNACES2CES1
SCHEMBL7483326 0.80 GLO1 (0.64) MEN1KMT2AHTTLMNACYP3A4

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