SCHEMBL8426096

SCHEMBL8426096

COC(=O)C1(Oc2ccc(Cl)cc2)CCOC(CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP10 P09238 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL8425305 0.82 MMP1 (0.37) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8424068 0.81 DRD4 (0.43) ALDH1A1TMEM97SIGMAR1LMNAL3MBTL1
SCHEMBL8423700 0.80 HSD11B1 (0.37) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8428008 0.74 HSD11B1 (0.35) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8423694 0.74 PPARG (0.37) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8423589 0.72 DRD4 (0.41) ABCB11ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL696193 0.70 HPGD (0.43) MMP13ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8426091 0.67 MMP2 (0.47) MMP1MMP2ABCB11MMP3MMP7
SCHEMBL27530823 0.65 MMP1 (0.44) MMP1MMP2ABCB11MMP3MMP7
SCHEMBL28596203 0.65 HPGD (0.57) ABCB11ALDH1A1MAPTKMT2ASMN1; SMN2

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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