SCHEMBL12755306

SCHEMBL12755306

CC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C(C)(C)C)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD11B1 P28845 4/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR1I2 O75469 8/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL24977923 0.88 PTPN1 (0.38) ALDH1A1HPGDNPSR1HSD11B1HSD17B3
SCHEMBL18732386 0.88 NR1I2 (0.36) ALDH1A1HPGDNPSR1HSD11B1HSD17B3
SCHEMBL14421624 0.85 ELANE (0.35) ALDH1A1HPGDNPSR1HSD11B1HSD17B3
SCHEMBL20661481 0.83 KDM4E (0.35) ALDH1A1HPGDNPSR1HSD11B1PTPN1
SCHEMBL26295068 0.81 HSD17B2 (0.41) ALDH1A1HPGDNPSR1HSD11B1HSD17B3
SCHEMBL17172532 0.81 TSHR (0.41) HSD11B1POLBSMN1; SMN2RXFP1NR1I2
SCHEMBL17172536 0.81 POLB (0.42) ALDH1A1HSD11B1MMP9MMP13POLB
SCHEMBL19619717 0.81 ALDH1A1 (0.34) ALDH1A1HPGDNPSR1MMP9MMP13
SCHEMBL12736417 0.81 HSD11B1 (0.46) ALDH1A1HSD11B1MMP9MMP13SMN1; SMN2
SCHEMBL17706660 0.81 POLB (0.41) ALDH1A1HSD11B1HSD17B3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927756-B2 Redox fuel cell using methanol FUJITSU LIMITED (JP) 2011-04-19 — — US disclosed
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