SCHEMBL28295794

SCHEMBL28295794

CCCc1cc(O)ccc1C(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
PTPN11 Q06124 2/20 0.53
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
EGFR P00533 2/20 0.47
LCK P06239 2/20 0.47
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
HSP90AB1 P08238 1/20 0.44
MCL1 Q07820 1/20 0.44
PPARA Q07869 1/20 0.44
HSD17B3 P37058 1/20 0.43
HTT P42858 1/20 0.42
PTPN2 P17706 1/20 0.42

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
Water SCHEMBL19326711 0.98 PTPN1 (0.51) PTPN1PTPN11CA12CA1CA2
SCHEMBL9745 0.98 PTPN1 (0.54) PTPN1PTPN11CA12CA1CA2
Acetic Acid SCHEMBL6129825 0.95 PTPN1 (0.51) PTPN1PTPN11CA12CA1CA2
Formic Acid SCHEMBL30600491 0.92 PTPN1 (0.49) PTPN1PTPN11CA12CA1CA2
SCHEMBL11441154 0.90 PTPN1 (0.47) PTPN1PTPN11CA12CA1CA2
SCHEMBL27517800 0.90 TYR (0.54) PTPN1PTPN11CA12CA1CA2
SCHEMBL11496844 0.89 CA12 (0.56) PTPN1PTPN11CA12CA1CA2
SCHEMBL39293 0.88 TYR (0.56) PTPN1PTPN11CA12CA1CA2
SCHEMBL3873135 0.87 CA12 (0.55) PTPN1CA12CA1CA2CA7
SCHEMBL27517848 0.87 CA12 (0.55) PTPN1CA12CA1CA2CA7

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
CN-109874294-A The method for improving the agricultural production of birds by application microorganism consortium or its purifying bacterial strain 埃斯库斯生物科技股份公司 2019-06-11 CN disclosed
CN-109757107-A Method for improving milk production by application microorganism consortium 埃斯库斯生物科技股份公司 2019-05-14 CN disclosed