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SCHEMBL27609015

SCHEMBL27609015

CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.CCOC(=S)N(CC)CC.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S.NC(O)=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ EHMT2 Q96KQ7 3/20 0.37
▸ EHMT1 Q9H9B1 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GSDMD P57764 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ PHGDH O43175 3/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ ALDH2 P05091 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 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
SCHEMBL5972451 1.00 CA12 (0.37) CA12CA1CA2CA9EHMT2
SCHEMBL27347286 1.00 CA12 (0.37) CA12CA1CA2CA9EHMT2
SCHEMBL27590106 1.00 CA12 (0.37) CA12CA1CA2CA9EHMT2
Hydrochloric Acid SCHEMBL28165273 0.98 CA12 (0.36) CA12CA1CA2CA9EHMT2
Ethane SCHEMBL27645957 0.98 CA12 (0.36) CA12CA1CA2CA9EHMT2
Bromide SCHEMBL28081839 0.98 CA12 (0.36) CA12CA1CA2CA9EHMT2
Ammonia Solution, Strong SCHEMBL27539814 0.98 CA12 (0.36) CA12CA1CA2CA9EHMT2
Propane SCHEMBL28132313 0.98 CA12 (0.36) CA12CA1CA2CA9EHMT2
Alcohol SCHEMBL27451000 0.96 CA12 (0.34) CA12CA1CA2CA9EHMT2
Ammonia Solution, Strong SCHEMBL27703488 0.96 CA12 (0.34) CA12CA1CA2CA9EHMT2

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
CN-1681771-A 4- (3, 3-dihalo-allyloxy) phenoxyalkyl derivatives SYNGENTA PARTICIPATIONS AG (CH) 2005-10-12 — — CN disclosed