SCHEMBL21995317

SCHEMBL21995317

CC(C)(C)OC(=O)CC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
STS P08842 3/20 0.41
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL21994463 0.88 HPGD (0.57) HPGDKMT2AMEN1ALDH1A1RECQL
SCHEMBL21987385 0.83 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL697215 0.83 BTK (0.38) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL7552309 0.81 BTK (0.37) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL9938875 0.80 HPGD (0.56) HPGDKMT2AALDH1A1RECQLPTPN2
SCHEMBL1334743 0.80 SMN1; SMN2 (0.43) HPGDKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8494766 0.80 BTK (0.46) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL1576143 0.79 GAA (0.49) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL310852 0.78 HRH3 (0.60) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL7795853 0.78 BTK (0.35) HPGDKMT2AMEN1ALDH1A1TSHR

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
EP-3887376-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF Topadur Pharma AG (CH) 2021-10-06 EP disclosed
WO-2020109354-A1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2020-06-04 WO disclosed