SCHEMBL10522339

SCHEMBL10522339

CCC(C)OC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRA P18433 1/20 0.41
PTPRB P23467 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.40
TRPA1 O75762 2/20 0.39
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
MRGPRX2 Q96LB1 1/20 0.38
CHRM3 P20309 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL11726621 0.84 PTPN1 (0.38) PTPN1MAPTPTPN2PTPRAPTPRB
SCHEMBL7616402 0.82 MAPT (0.41) MAPTTSHRSMN1; SMN2
SCHEMBL5806500 0.79 ALDH1A1 (0.48) MAPTTSHRSMN1; SMN2HIF1AALDH1A1
SCHEMBL9942148 0.78 ALDH1A1 (0.43) MAPTTSHRSMN1; SMN2HIF1AALDH1A1
SCHEMBL7614917 0.78 S1PR1 (0.49) TSHRALDH1A1LMNAPPARGPPARA
SCHEMBL8491129 0.78 OPRM1 (0.39) MAPTSMN1; SMN2ALDH1A1LMNAKCNH2
SCHEMBL7435532 0.78 ALDH1A1 (0.59) PTPN1MAPTTSHRSMN1; SMN2HIF1A
SCHEMBL7975332 0.77 PTPN1 (0.64) PTPN1SMN1; SMN2HIF1APTPN2PTPRA
SCHEMBL3531184 0.77 MAPT (0.34) MAPTALDH1A1
SCHEMBL5428513 0.76 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1RECQLCYP3A4

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-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 EP disclosed