SCHEMBL7446893

SCHEMBL7446893

CCCSC[C@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
METAP2 P50579 4/20 0.40
METAP1 P53582 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
OR51E2 Q9H255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TSHR P16473 1/20 0.35
TET2 Q6N021 3/20 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
SCHEMBL4955415 1.00 GPR84 (0.43) GPR84FFAR1METAP2METAP1TDP1
SCHEMBL4956102 0.87 GPR84 (0.50) GPR84FFAR1OR51E2TSHRNOS2
SCHEMBL7377715 0.85 GPR84 (0.53) GPR84FFAR1TSHRGMNNTP53
SCHEMBL7442197 0.83
SCHEMBL724401 0.83
SCHEMBL4955129 0.81 TDP1 (0.42) METAP2METAP1TDP1CHRM1AKR1A1
SCHEMBL723123 0.80 GPR84 (0.52) GPR84FFAR1TDP1OR51E2SMN1; SMN2
SCHEMBL9735363 0.77 ACE2 (0.39) METAP2METAP1TDP1CHRM1AKR1A1
SCHEMBL9937927 0.77 GPR84 (0.59) GPR84FFAR1TDP1OR51E2CHRM1
SCHEMBL1157636 0.76 ARG1 (0.60) METAP2METAP1ARG1ARG2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed