SCHEMBL12212935

SCHEMBL12212935

O=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(S(=O)(=O)O)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ LMNA P02545 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NT5E P21589 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ DRD1 P21728 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2944205 1.00 TDP1 (0.57) TDP1LMNAMMP1MMP2MMP3
SCHEMBL11337452 0.98 TDP1 (0.55) TDP1LMNAMMP1MMP2MMP3
SCHEMBL226161 0.93 TDP1 (0.64) TDP1LMNAMMP1MMP2MMP3
Water SCHEMBL2368741 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
SCHEMBL2800192 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL28303489 0.91 TDP1 (0.61) TDP1LMNAMMP1MMP2MMP3
SCHEMBL7112122 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL7112124 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL6881761 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E
SCHEMBL6881757 0.84 TDP1 (0.59) TDP1LMNATSHRALDH1A1NT5E

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-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 — — US disclosed
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