SCHEMBL8997317

SCHEMBL8997317

CCCC(=O)NC1(C#N)CCSCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CTSD P07339 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CTSL P07711 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5673421 0.88 CTSS (0.40) CTSSHDAC3HDAC1HDAC2HDAC8
SCHEMBL14842066 0.75 CTSL (0.36) CTSSCTSKCTSL
SCHEMBL3372481 0.75 ALDH1A1 (0.41) ALDH1A1TDP1RXFP1NPC1RAB9A
SCHEMBL11972690 0.75 EPHX2 (0.51)
SCHEMBL21125643 0.75 ANO1 (0.37) CTSSHDAC3HDAC1HDAC2HDAC8
SCHEMBL15427227 0.73 CTSS (0.42) CTSSCTSKALDH1A1TDP1CTSL
SCHEMBL8997311 0.72 SPHK1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21125312 0.72 EPHX2 (0.38) CTSSALDH1A1CTSLNPC1RAB9A
SCHEMBL27991912 0.70 KDM4E (0.45) ALDH1A1TDP1POLBRXFP1NPC1
SCHEMBL18910044 0.70 CTSL (0.44) CTSSCTSKCTSL

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
US-5512681-A HORMONE INHIBITORS FOR TREATMENT OF HYPERTENSION OR CONGESTIVE HEART FAILURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-04-30 US disclosed
EP-0601039-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-06-15 EP disclosed
WO-1993004046-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-04 WO disclosed