SCHEMBL11516243

SCHEMBL11516243

CCOC(=O)c1cccc(C(=O)O)c1S(=O)(=O)O.[KH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 3/20 0.45
CDC25B P30305 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CLEC4M Q9H2X3 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
SCHEMBL433519 0.98 TSHR (0.56) TSHRKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL6055475 0.97 TSHR (0.54) TSHRKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL14720272 0.97 TSHR (0.54) TSHRKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL2116927 0.82 ALOX15 (0.41) TSHRKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL3781304 0.82 ALOX15 (0.57) TSHRALDH1A1HSD17B10ALOX15CA12
SCHEMBL8591498 0.81 ALOX15 (0.50) TSHRKMT2AALDH1A1HSD17B10ALOX15
SCHEMBL7115648 0.81 ALDH1A1 (0.41) TSHRKMT2AALDH1A1ALOX15CA2
SCHEMBL17361068 0.80 ALOX15 (0.49) TSHRALDH1A1HSD17B10ALOX15CA12
SCHEMBL65889 0.80 ALOX15 (0.59) TSHRALDH1A1HSD17B10ALOX15CA12
Benzene SCHEMBL10638262 0.80 ALOX15 (0.59) TSHRALDH1A1HSD17B10ALOX15CA12

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-4167395-A Water-soluble branched polyesters CASSELLA AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4150216-A Hair-treating agents from branched, sulfo-group containing copolyesters HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-17 US disclosed