SCHEMBL8690484

SCHEMBL8690484

CCC(=O)C(C(=O)Cc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
ATM Q13315 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 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
SCHEMBL8691608 0.86 L3MBTL1 (0.48) KMT2AL3MBTL1KDM4EGLAHDAC1
SCHEMBL8692250 0.82 L3MBTL1 (0.44) KMT2AL3MBTL1KDM4EGLAHDAC1
SCHEMBL4682 0.81 HDAC1 (0.41) KMT2AL3MBTL1KDM4EHDAC1HDAC6
SCHEMBL2202426 0.77 SMN1; SMN2 (0.40) KMT2AALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL8690626 0.77 MMP8 (0.48) KMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL8693477 0.76 KMT2A (0.43) KMT2AL3MBTL1KDM4EGLAALDH1A1
SCHEMBL8690994 0.74 KMT2A (0.46) KMT2AL3MBTL1KDM4EGLAALDH1A1
SCHEMBL8750495 0.73 SMN1; SMN2 (0.40) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6421966 0.73 MME (0.45) KMT2ASMN1; SMN2MEN1HTT
SCHEMBL8692827 0.73 KMT2A (0.43) KMT2AL3MBTL1KDM4EGLAALDH1A1

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
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed