SCHEMBL9208923

SCHEMBL9208923

CCC[C@](N)(Cc1ccccc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
PTPN1 P18031 3/20 0.45
PTPRB P23467 3/20 0.45
PTPN2 P17706 2/20 0.45
PTPRA P18433 1/20 0.45
RECQL P46063 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ARG1 P05089 1/20 0.44
ARG2 P78540 1/20 0.44
MMP8 P22894 1/20 0.44
KCNN4 O15554 1/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
ACP1 P24666 1/20 0.41
CTRB1 P17538 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9208919 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL7519674 0.91 ARG1 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL2212406 0.91 ARG1 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL7514054 0.89 SMN1; SMN2 (0.53) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL7513635 0.88 PTPN1 (0.46) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL180291 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL9211047 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL3383960 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL6321269 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2
SCHEMBL332421 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HIF1APTPN1PTPRBPTPN2

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
EP-0427463-B1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORP (US) 1995-03-08 EP disclosed
US-5248689-A Hypotensive agents, congestive heart failure, renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1993-09-28 US disclosed
EP-0427463-A1 Substituted N-(imidazolyl)alkyl alanine derivatives SMITHKLINE BEECHAM CORPORATION (US) 1991-05-15 EP disclosed