SCHEMBL6612381

SCHEMBL6612381

CCOC(=O)C=C(CCCCCl)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL6612378 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL6609674 0.90 MAOB (0.40) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL6609669 0.90 MAOB (0.40) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL6610527 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1RAB9APOLB
SCHEMBL6610529 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1RAB9APOLB
SCHEMBL6610157 0.89 MAPT (0.38) SMN1; SMN2MAPTALDH1A1LMNAHRH2
SCHEMBL6610154 0.89 MAPT (0.38) SMN1; SMN2MAPTALDH1A1LMNAHRH2
SCHEMBL6611592 0.89 HDAC1 (0.39) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL6611593 0.89 HDAC1 (0.39) SMN1; SMN2MAPTALDH1A1LMNATDP1
SCHEMBL6614722 0.82 IKBKB (0.43) SMN1; SMN2MAPTALDH1A1LMNATDP1

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
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP disclosed
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