SCHEMBL9778015

SCHEMBL9778015

O=C(O)COc1ccc(C(O)CNS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP14 P50281 2/20 0.49
ADAM17 P78536 2/20 0.49
MMP1 P03956 1/20 0.49
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SGMS1 Q86VZ5 2/20 0.48
LMNA P02545 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
IDO1 P14902 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL9778021 0.89 TBXA2R (0.62) MMP2MMP9MMP14ADAM17MMP1
SCHEMBL9777989 0.88 TBXA2R (0.49) MMP1TBXA2RTBXAS1ALDH1A1SGMS1
SCHEMBL9765316 0.88 ALDH1A1 (0.54) MMP2MMP9MMP14ADAM17MMP1
SCHEMBL9778031 0.85 SMN1; SMN2 (0.58) ALDH1A1CA1CA2HSP90AA1HSP90AB1
SCHEMBL7302709 0.84 ITGB3 (0.49) TBXA2RTBXAS1ALDH1A1IDO1HSP90AA1
SCHEMBL24590667 0.78 CA1 (0.56) ALDH1A1LMNACA1CA2SMN1; SMN2
SCHEMBL28526568 0.78 CA1 (0.57) ALDH1A1LMNACA1CA2TSHR
SCHEMBL11342321 0.78 TBXA2R (0.79) MMP2MMP9MMP14ADAM17MMP1
SCHEMBL9512068 0.78 TBXA2R (0.63) MMP2MMP9MMP14ADAM17MMP1
SCHEMBL10701921 0.77 ALDH1A1 (0.56) TBXA2RTBXAS1ALDH1A1IDO1HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed