SCHEMBL8428342

SCHEMBL8428342

CCC(=O)OSSOC(=O)C(CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
CNR1 P21554 3/20 0.45
CNR2 P34972 2/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
FOLH1 Q04609 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42
CAPN1 P07384 2/20 0.42
PLCD1 P51178 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
GIGYF2 Q6Y7W6 1/20 0.40

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
SCHEMBL5075016 0.82 TDP1 (0.47) TDP1CNR1CNR2CA12CA1
SCHEMBL6033324 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL179912 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL14417100 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL18780618 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL4455260 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL12569327 0.77 TDP1 (0.55) TDP1CNR1CNR2CA12CA1
SCHEMBL3622089 0.76 TDP1 (0.54) TDP1CNR1CNR2CA12CA1
SCHEMBL2373483 0.76 TDP1 (0.52) TDP1CNR1CA12CA1CA2
SCHEMBL4153459 0.75 TDP1 (0.48) TDP1CA12CA1CA2CA9

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-5955290-A CONTACTING CELL WHICH COEXPRESSES RECEPTOR AND KINASE WITH TEST AGONIST, DETERMINING AMOUNT OF TYROSINE PHOSPHORYLATION REGENERON PHARMACEUTICALS, INC. (US) 1999-09-21 US disclosed