SCHEMBL7757786

SCHEMBL7757786

Cn1cnc(/C=C\C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TBXAS1 P24557 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL2073331 1.00 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL3803230 1.00 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457836 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8457834 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL6015376 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL6015374 0.98 HDAC1 (0.51) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14619953 0.85 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL14587959 0.81 HDAC1 (0.49) HDAC1HDAC2
SCHEMBL2154529 0.81 HDAC1 (0.52) HDAC1HDAC2ALDH1A1GAAKDM4E
SCHEMBL15328886 0.81 HDAC1 (0.49) HDAC1HDAC2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773782-B1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-03-14 EP claimed
EP-0773782-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-05-21 EP claimed
WO-1996036335-A1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-21 WO claimed
EP-0773782-B1 TERPENOIDIC DERIVATIVES (SARCODICTYINS) USEFUL AS ANTITUMOR AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-03-14 EP disclosed