SCHEMBL8857464

SCHEMBL8857464

CC(NC(=O)O)C(=O)C=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.55
▸ GLA P06280 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ PLIN1 O60240 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ PLIN5 Q00G26 2/20 0.50
▸ ABHD5 Q8WTS1 2/20 0.50
▸ TNKS O95271 1/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL28466229 0.84 TDP1 (0.53) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL3420024 0.84 APP (0.47) CYP1A2MAPTHCAR2CYP3A4CYP2C19
SCHEMBL3308815 0.80 TDP1 (0.57) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL3308818 0.80 TDP1 (0.57) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL5598797 0.80 TDP1 (0.61) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL2622483 0.80 TDP1 (0.61) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL5231718 0.80 TDP1 (0.61) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL5598795 0.80 TDP1 (0.61) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL27727863 0.78 TDP1 (0.59) TDP1GLAALDH1A1LMNAHDAC3
SCHEMBL10349072 0.77 TDP1 (0.57) TDP1GLAALDH1A1LMNAHDAC3

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-5700891-A CONTAINS ACTIVATOR SYSTEM FOR FREE-RADICAL POLYMERIZATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-12-23 — — US disclosed
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