SCHEMBL6559546

SCHEMBL6559546

CC(=O)NC1=CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAPRT Q6XQN6 1/20 0.34

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
SCHEMBL10427363 0.94
SCHEMBL30525166 0.92 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL16372323 0.87
SCHEMBL11571284 0.81 ALDH1A1 (0.45) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL5932198 0.81 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL5932189 0.81 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL25095364 0.79 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL16619760 0.79 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL5932677 0.79 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL5932684 0.79 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281521-A2 Herbicidal compositions CIBA-GEIGY AG (CH) 1988-09-07 EP claimed
EP-0990641-B1 Process for the synthesis of alpha-substituted ring systems BAYER CHEMICALS AG (DE) 2004-03-17 EP disclosed
US-6235925-B1 RING CLOSURE METHATHESIS AND NOBLE METAL CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
EP-0990641-A1 Process for the synthesis of alpha-substituted ring systems Bayer Aktiengesellschaft (DE) 2000-04-05 EP disclosed
US-5243080-A Ether and ester compounds ALLIEDSIGNAL INC. (US) 1993-09-07 US disclosed
WO-1992012983-A1 A METHOD OF FLUORINATING BY USING N-FLUOROPYRIDINIUM PYRIDINE HEPTAFLUORODIBORATE ALLIED-SIGNAL INC. (US) 1992-08-06 WO disclosed
US-5086190-A Heating and reacting androstadienes with the complexes in solvent ALLIED-SIGNAL INC. (US) 1992-02-04 US disclosed
EP-0281521-A2 Herbicidal compositions CIBA-GEIGY AG (CH) 1988-09-07 EP disclosed
US-4631272-A N-acylated 1-alkylamino-1-deoxy-ketose derivatives, a process for their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0152856-A2 N-acylated 1-alkylamimo-1-desoxy ketose derivatives, method for their preparation and use BAYER AG (DE) 1985-08-28 EP disclosed
US-4194050-A HYDROGENATING OXIMES HAVING AN ALPHA-HYDROGEN USING A RUTHENIUM CATALYST AND A CARBOXYLIC ANHYDRIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-18 US disclosed
US-4137417-A Process for producing an enamide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-01-30 US disclosed