SCHEMBL8917735

SCHEMBL8917735

CCOC(=O)CC(Cc1ccncc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.52
PTPN1 P18031 1/20 0.52
ACP1 P24666 1/20 0.52
PPID Q08752 1/20 0.44
CYP19A1 P11511 3/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
CDC7 O00311 3/20 0.39
DBF4 Q9UBU7 3/20 0.39
NAMPT P43490 3/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8920728 0.88 ALDH1A1 (0.45) PTPRBPTPN1ACP1PPIDCYP19A1
SCHEMBL5661041 0.85 ALDH1A1 (0.55) PTPRBPTPN1ACP1PPIDTSHR
SCHEMBL7442766 0.83 PTPRB (0.46) PTPRBPTPN1ACP1PPIDCYP19A1
SCHEMBL1677466 0.78 MMP8 (0.57) PTPRBPPIDCYP19A1TSHRALDH1A1
SCHEMBL8331685 0.76 CYP19A1 (0.44) PTPRBCYP19A1TSHRALDH1A1KMT2A
SCHEMBL3309782 0.75 PTPN1 (0.48) PTPRBPTPN1ACP1PPIDALDH1A1
SCHEMBL3312228 0.75 PTPN1 (0.48) PTPRBPTPN1ACP1PPIDTSHR
SCHEMBL10992850 0.75 GAA (0.50) PTPRBPTPN1ACP1TSHRALDH1A1
SCHEMBL304656 0.74 CYP19A1 (0.63) PPIDCYP19A1TSHRCDC7DBF4
SCHEMBL4419400 0.73 ALDH1A1 (0.62) PTPRBPTPN1PPIDTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658935-A USEFUL AS INHIBITORS OF THROMBOCYTE AGGREGATION, THE METASTASIS OF CARCINOMA CELLS AND THE BINDING OF OSTEOCLASTS ON BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed