SCHEMBL19499084

SCHEMBL19499084

COc1ccc(C(C)N2CC([C@H](C)OS(C)(=O)=O)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CHRM2 P08172 5/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP7 P09237 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 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
SCHEMBL16426900 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL16426901 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL16427605 0.86 KMT2A (0.53) KMT2AHSD11B1CHRM2CHRM1ALDH1A1
SCHEMBL16427606 0.86 KMT2A (0.53) KMT2AHSD11B1CHRM2CHRM1ALDH1A1
SCHEMBL18603267 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL20202072 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL20981967 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL17102246 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL17121095 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL19947558 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1POLBMMP2

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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 — — EP disclosed
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