SCHEMBL8394615

SCHEMBL8394615

CCS(=O)(=O)NCCCC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 4/20 0.40
REN P00797 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BMP1 P13497 1/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.32
EPHX1 P07099 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL8397068 0.88 CYP1A2 (0.35) CYP1A2SIGMAR1RENMEN1KMT2A
SCHEMBL6564732 0.79 RELA (0.38) CYP1A2RENCA1CA2CA12
SCHEMBL8395547 0.77 SIGMAR1 (0.48) CYP1A2SIGMAR1RENBMP1ALDH1A1
SCHEMBL8392865 0.77 SIGMAR1 (0.48) CYP1A2SIGMAR1RENBMP1ALDH1A1
SCHEMBL8392560 0.75 ADH1B (0.40) KMT2AALDH1A1EPHX1
SCHEMBL8395807 0.74 GRIA1 (0.57) CYP1A2SIGMAR1RENBMP1
SCHEMBL4071690 0.74 POLB (0.40) CYP1A2SIGMAR1BMP1CA1CA2
SCHEMBL31593692 0.73 SIGMAR1 (0.48) CYP1A2SIGMAR1RENMEN1KMT2A
SCHEMBL8392349 0.71 SAT1 (0.52) CYP1A2SIGMAR1MEN1KMT2A
SCHEMBL17664608 0.71 CYP1A2 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed