SCHEMBL19965707

SCHEMBL19965707

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCS)OC(=O)CCCCCCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.74
▸ CNR1 P21554 3/20 0.67
▸ TDP1 Q9NUW8 2/20 0.55
▸ HLCS P50747 2/20 0.50
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ TPSAB1 Q15661 1/20 0.49
▸ PLCD1 P51178 1/20 0.48
▸ FOLH1 Q04609 2/20 0.47
▸ CAPN1 P07384 2/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ HPSE Q9Y251 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ FGF1 P05230 1/20 0.45

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
SCHEMBL19965709 1.00 CNR2 (0.74) CNR2CNR1TDP1HLCSF2
SCHEMBL30341797 0.88 CNR2 (0.94) CNR2CNR1TDP1HLCSF2
SCHEMBL12989865 0.88 CNR2 (0.68) CNR2CNR1TDP1HLCSF2
SCHEMBL29700479 0.86 CNR2 (0.67) CNR2CNR1TDP1HLCSF2
SCHEMBL12582940 0.86 CNR2 (0.66) CNR2CNR1TDP1HLCSF2
SCHEMBL10140249 0.86 CNR2 (0.66) CNR2CNR1TDP1HLCSF2
SCHEMBL30165784 0.86 CNR2 (0.66) CNR2CNR1TDP1HLCSF2
SCHEMBL29758823 0.85 CNR2 (0.64) CNR2CNR1TDP1HLCSF2
SCHEMBL9441571 0.84 TDP1 (0.71) TDP1HLCSF2PRSS1PRSS2
SCHEMBL22493325 0.84 HLCS (0.71) CNR2CNR1TDP1HLCSF2

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-20180073017-A1 METHODS FOR SELECTING ENZYMES HAVING ENHANCED ACTIVITY NOVOZYMES A/S (DK) 2018-03-15 — — US disclosed
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