SCHEMBL11060902

SCHEMBL11060902

Nc1ccc([C@H](C(=O)O)S(=O)(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.69
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
NT5E P21589 1/20 0.43
PTPN1 P18031 3/20 0.41
PTPN6 P29350 3/20 0.41
PTPN11 Q06124 3/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP13 P45452 2/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
GRM8 O00222 1/20 0.37

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
SCHEMBL11147945 1.00 SRC (0.69) SRCTSHRALDH1A1NT5EPTPN1
SCHEMBL11147051 0.82 SRC (0.47) SRCTSHRALDH1A1NT5EPTPN1
SCHEMBL11147045 0.82 SRC (0.47) SRCTSHRALDH1A1NT5EPTPN1
SCHEMBL7898010 0.82 SRC (1.00) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL11166146 0.81 SRC (1.00) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL9912818 0.81 SRC (1.00) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL20869602 0.81 SRC (1.00) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL6381902 0.80 SRC (0.96) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL28406293 0.79 SRC (0.96) SRCALDH1A1PTPN1PTPN6PTPN11
SCHEMBL5016643 0.79 SRC (0.96) SRCALDH1A1PTPN1PTPN6PTPN11

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-4467101-A CEPHALOSPORIN PRECURSORS CIBA-GEIGY CORPORATION (US) 1984-08-21 US disclosed
US-4374134-A Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof CIBA-GEIGY CORPORATION (US) 1983-02-15 US disclosed