SCHEMBL8934772

SCHEMBL8934772

CC(C)(C)OC(=O)Cc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
MAPT P10636 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9897504 0.85 GPR119 (0.46) MTNR1AMTNR1BGPR119
SCHEMBL8066339 0.84 CA2 (0.43) CA1CA2CYP4F2CYP4A11ALDH1A1
SCHEMBL27572251 0.84 CA2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL184666 0.81 CYP4F2 (0.56) MAPTCA1CA2CA12CA9
SCHEMBL23930060 0.81 CA2 (0.41) MTNR1AMTNR1BRIPK1RIPK3CA1
SCHEMBL2427540 0.80 MAPT (0.56) MTNR1AMTNR1BMAPTCYP1A2CYP2C9
SCHEMBL2083561 0.79 POLB (0.46) CA1CA2CA12CA9EGFR
SCHEMBL119585 0.79 LMNA (0.54) MAPTCYP1A2CYP2C9CYP4F2CYP4A11
SCHEMBL19085086 0.78 MTNR1A (0.47) MTNR1AMTNR1BRIPK1RIPK3MAPT
SCHEMBL21554546 0.78 CA2 (0.50) MTNR1AMTNR1BCA2KDM4EALDH1A1

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
WO-1996023543-A1 PHOTOLYTIC DRUG DELIVERY SYSTEMS ANGIOMEDICS II INCORPORATED (US) 1996-08-08 WO disclosed