SCHEMBL6624920

SCHEMBL6624920

Cc1ccc(-c2[nH]c3cccc4c3c2CCC4=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.53
BRD4 O60885 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6624211 0.87 PARP1 (0.68) PARP1
SCHEMBL6626365 0.86 PARP1 (0.54) PARP1
SCHEMBL6624575 0.86 PARP1 (0.53) PARP1BRD4
SCHEMBL6624195 0.86 PARP1 (0.53) PARP1
SCHEMBL6625085 0.85 PARP1 (0.72) PARP1BRD4KDM4EALDH1A1LMNA
SCHEMBL27015319 0.83 PARP1 (0.79) PARP1
SCHEMBL6625922 0.83 PARP1 (0.72) PARP1
SCHEMBL6626389 0.81 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27015312 0.80 PARP1 (0.59) PARP1
SCHEMBL6626224 0.77 PARP1 (0.49) PARP1BRD4KDM4EALDH1A1LMNA

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-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed