SCHEMBL6162788

SCHEMBL6162788

Cc1ccc(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 4/20 0.72
TGM2 P21980 4/20 0.72
TGM1 P22735 4/20 0.72
CCR8 P51685 2/20 0.53
UCHL1 P09936 1/20 0.51
USP30 Q70CQ3 1/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPN P05981 1/20 0.49
ST14 Q9Y5Y6 1/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1870031 0.84 F13A1 (0.72) F13A1TGM2TGM1CCR8CA1
SCHEMBL1869832 0.84 TGM2 (1.00) F13A1TGM2TGM1
SCHEMBL1868875 0.84 TGM2 (1.00) F13A1TGM2TGM1
SCHEMBL1868878 0.84 TGM2 (1.00) F13A1TGM2TGM1
SCHEMBL1843035 0.82 SMN1; SMN2 (0.53) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL7401800 0.81 F13A1 (0.72) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL1872545 0.80 F13A1 (0.67) F13A1TGM2TGM1CCR8SMN1; SMN2
SCHEMBL3615713 0.80 SMN1; SMN2 (0.51) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL8788495 0.80 SMN1; SMN2 (0.51) F13A1TGM2TGM1SMN1; SMN2NPC1
SCHEMBL3789109 0.80 SMN1; SMN2 (0.51) F13A1TGM2TGM1SMN1; SMN2NPC1

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed