SCHEMBL6612448

SCHEMBL6612448

CCOC(=O)C=C(CCCCCl)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ACKR3 P25106 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B1 P14061 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ ESRRG P62508 2/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL6612447 1.00 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6614722 0.90 IKBKB (0.43) ALDH1A1MAPTSMN1; SMN2HSD17B1HSD17B2
SCHEMBL6614724 0.90 IKBKB (0.43) ALDH1A1MAPTSMN1; SMN2HSD17B1HSD17B2
SCHEMBL6610835 0.89 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6610831 0.89 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
Iodide SCHEMBL6607595 0.83 KDM4E (0.38) KDM4ENPC1RAB9AALDH1A1HPGD
Iodide SCHEMBL6607589 0.83 KDM4E (0.38) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6610157 0.82 MAPT (0.38) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6610154 0.82 MAPT (0.38) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL27569714 0.81 RAB9A (0.46) KDM4ENPC1RAB9AALDH1A1HPGD

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-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 — — WO disclosed
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