SCHEMBL14958725

SCHEMBL14958725

CCN(C)CCc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.51
MRGPRX4 Q96LA9 5/20 0.48
TP53 P04637 2/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ACHE P22303 3/20 0.47
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43

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
SCHEMBL29035563 0.85 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL15142867 0.84 FOLH1 (0.54) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL24835146 0.80 ALDH1A1 (0.55) ACHE
SCHEMBL30354557 0.80 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL991080 0.80 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL371526 0.79 FOLH1 (0.70) FOLH1MRGPRX4MEP1AMEP1BCYP2D6
SCHEMBL27598641 0.79 FOLH1 (0.49) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL27666658 0.78 FOLH1 (0.51) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL40108 0.78 MEP1B (0.51) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL4407864 0.77 MEP1B (0.65) FOLH1MRGPRX4TP53PKMNFKB1

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-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed