SCHEMBL27488172

SCHEMBL27488172

COC(=O)C(C)(C)Cc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 9/20 0.39
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPRA P18433 1/20 0.39
MMP8 P22894 1/20 0.35
KCNN4 O15554 1/20 0.35
CTRB1 P17538 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
MMP9 P14780 1/20 0.33
RIPK1 Q13546 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
ACP1 P24666 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL27439864 0.82 SMN1; SMN2 (0.38) RIPK1ALDH1A1RECQLPTGES2
SCHEMBL293540 0.80 MMP8 (0.51) PTPRBPTPN2PTPN1PTPRAMMP8
Ammonia Solution, Strong SCHEMBL9134412 0.78 PTPRB (0.50) PTPRBPTPN2PTPN1PTPRAMMP8
SCHEMBL11509018 0.77 PTPRB (0.47) PTPRBPTPN2PTPN1PTPRAMMP8
SCHEMBL1067474 0.74 SLC6A2 (0.33)
Carbamic Acid SCHEMBL27809934 0.74 PTPRB (0.47) PTPRBPTPN2PTPN1PTPRAMMP8
SCHEMBL1071998 0.74 ESR1 (0.40)
SCHEMBL2642315 0.73 CYP4F2 (0.47) KMT2AALDH1A1
SCHEMBL1067890 0.73 PTPRB (0.41) PTPRBALDH1A1
SCHEMBL2747599 0.73 SPR (0.48) PTPRBKMT2A

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
CN-1192739-A N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 1998-09-09 CN disclosed