SCHEMBL7962680

SCHEMBL7962680

CCOc1ccc(C(C)=O)cc1C(=O)Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.62
HDAC8 Q9BY41 3/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL30102496 0.90 NPC1 (0.50) CREBBPHDAC8HDAC1HDAC6L3MBTL1
SCHEMBL7164453 0.88 HDAC1 (0.55) CREBBPHDAC8HDAC1HDAC6L3MBTL1
SCHEMBL641868 0.85 CREBBP (0.64) CREBBPHDAC8HDAC1HDAC6HTT
SCHEMBL7160525 0.83 CREBBP (0.61) CREBBPHDAC8HDAC1HDAC6HTT
SCHEMBL4730758 0.83 CREBBP (0.60) CREBBPHDAC8HDAC1HDAC6L3MBTL1
SCHEMBL29463757 0.81 CREBBP (0.72) CREBBPHDAC8HDAC1HDAC6L3MBTL1
SCHEMBL3034164 0.81 CREBBP (0.72) CREBBPHDAC8HDAC1HDAC6L3MBTL1
SCHEMBL7922567 0.81 SMN1; SMN2 (0.42) CREBBPHDAC8HDAC1HDAC6TSHR
SCHEMBL3385153 0.80 TSHR (0.50) HDAC8HDAC1HDAC6TSHRNPC1
SCHEMBL8204769 0.80 CREBBP (0.66) CREBBPHDAC8HDAC1HDAC6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
CN-1034503-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1997-04-09 CN disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed
CN-1068329-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1993-01-27 CN disclosed