SCHEMBL9778016

SCHEMBL9778016

CCOC(=O)COc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 4/20 0.55
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ADRB3 P13945 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL9778031 0.89 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9777951 0.89 SMN1; SMN2 (0.57) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9777989 0.85 TBXA2R (0.49) SMN1; SMN2TSHRGAANPSR1ALDH1A1
SCHEMBL9313088 0.81 TSHR (0.62) SMN1; SMN2TSHR
SCHEMBL9129860 0.81 TSHR (0.65) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9777945 0.80 ADRB2 (0.48) SMN1; SMN2GAANPSR1ALDH1A1TP53
SCHEMBL9765332 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL9510518 0.79 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGAANPSR1POLB
SCHEMBL28910541 0.79 MAPT (0.58) SMN1; SMN2TSHRGAANPSR1ALDH1A1
SCHEMBL7911907 0.78 ALDH1A1 (0.59) SMN1; SMN2TSHRGAANPSR1POLB

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-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed