SCHEMBL11125639

SCHEMBL11125639

Cc1cccc(CNC(=O)/C(I)=C(/Br)I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ASAH1 Q13510 2/20 0.47
▸ FBP1 P09467 2/20 0.46
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ OPRM1 P35372 1/20 0.41

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
SCHEMBL11125640 1.00 MMP13 (0.51) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11120794 0.88 MMP13 (0.54) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11141109 0.82 GABRP (0.50) NPC1RAB9A
SCHEMBL11141105 0.82 GABRP (0.50) NPC1RAB9A
SCHEMBL11122989 0.81 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL11122992 0.81 SMN1; SMN2 (0.51) KDM4EALDH1A1HPGDTP53NPC1
SCHEMBL11123350 0.81 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11123351 0.81 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8278938 0.80 MMP13 (0.55) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1684294 0.77 MMP13 (0.62) MMP13KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057058-B1 A METHOD OF PRESERVING ORGANIC MATERIALS FROM FUNGAL ATTACK AND A COMPOSITION FOR USE IN SUCH A METHOD SANKYO COMPANY LIMITED (JP) 1984-04-11 — — EP disclosed
US-4421766-A 3-HALO-2,3-DIIODOACRYLIC ACID OR ESTER SANKYO CO., LTD. (JP) 1983-12-20 — — US disclosed
EP-0057058-A1 A method of preserving organic materials from fungal attack and a composition for use in such a method SANKYO COMPANY LIMITED (JP) 1982-08-04 — — EP disclosed
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