SCHEMBL11506331

SCHEMBL11506331

CC1Cc2c(cc(O)cc2C(=O)O)O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 11/20 0.38
MAPK1 P28482 1/20 0.38
PARP1 P09874 1/20 0.37
PBRM1 Q86U86 1/20 0.36
MAOB P27338 4/20 0.35
HSP90AB1 P08238 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL643484 0.83 RAB9A (0.46) TDP1BRD4CREBBPKDM4EPOLB
SCHEMBL11507934 0.80 TDP1 (0.42) TDP1KDM4EMAPK1ALDH1A1GAA
SCHEMBL11506314 0.77 KDM4E (0.44) TDP1BRD4CREBBPKDM4EPOLB
SCHEMBL13266254 0.75 TDP1 (0.46) TDP1BRD4CREBBPMAPTMAOA
SCHEMBL11506396 0.74 TDP1 (0.53) TDP1CREBBPKDM4EPOLBMAPT
SCHEMBL11507390 0.72 BRD4 (0.40) TDP1BRD4CREBBPKDM4EPOLB
SCHEMBL9329830 0.68 PARP1 (0.58) TDP1BRD4CREBBPKDM4EPOLB
SCHEMBL18126609 0.68 SMN1; SMN2 (0.41) KDM4EMAOAMAOBALDH1A1GAA
SCHEMBL11505762 0.68 TDP1 (0.49) TDP1KDM4EMAPK1ALDH1A1GAA
SCHEMBL19961804 0.68 ALDH1A1 (0.49) KDM4EPOLBMAPTMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4143055-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS GRUPPO LEPETIT S.P.A. (IT) 1979-03-06 US disclosed