SCHEMBL8693535

SCHEMBL8693535

CCCOC(=O)OC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
NAAA Q02083 3/20 0.39
ALDH1A1 P00352 3/20 0.39
EPHX1 P07099 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
SOAT1 P35610 1/20 0.36
LMNA P02545 1/20 0.34
CHRM1 P11229 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
KCNH2 Q12809 2/20 0.34
ADRA1A P35348 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
MLNR O43193 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 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
SCHEMBL8378630 0.92 NAAA (0.44) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL450994 0.92 NAAA (0.49) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL11590190 0.90 NAAA (0.50) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL11589171 0.90 NAAA (0.50) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL8631017 0.90 NAAA (0.50) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL453874 0.90 NAAA (0.50) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL8691325 0.88 ALDH1A1 (0.48) NAAAALDH1A1EPHX1HCAR2LMNA
SCHEMBL6442932 0.86 NAAA (0.47) NAAAALDH1A1EPHX1HCAR2AKT1
SCHEMBL10955183 0.85 NAAA (0.39) PPM1BPTPN1PPP1CCNAAAALDH1A1
SCHEMBL6443077 0.84 NAAA (0.50) NAAAALDH1A1EPHX1HCAR2LMNA

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-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed