SCHEMBL7684074

SCHEMBL7684074

COc1ccc(CCCCS(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.56
IGF1R P08069 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX5 P09917 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
F2RL1 P55085 1/20 0.49
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL11095464 0.98 CALM1 (0.54) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL10572189 0.95 CALM1 (0.58) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL28854259 0.86 MMP8 (0.54) CALM1ALOX5CA12CA1CA2
SCHEMBL11123286 0.84 CALM1 (0.46) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL5994194 0.83 PPARA (0.50) CALM1
SCHEMBL5775963 0.83 MEN1 (0.54) CA12CA1CA2CA5ACA9
SCHEMBL21328231 0.83 CA1 (0.57) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL22230546 0.81 CA1 (0.55) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL28738754 0.81 CA1 (0.55) CALM1IGF1RALOX15ALOX5CA12
SCHEMBL4254058 0.81 CALM1 (0.72) CALM1IGF1RALOX15ALOX5CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482827-B1 Matrix metalloproteinase inhibitors PHARMACIA & UPJOHN S.P.A. (IT) 2002-11-19 US disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed