SCHEMBL5325908

SCHEMBL5325908

CCCC(=O)c1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.55
WNT3A P56704 2/20 0.55
PDE4D Q08499 4/20 0.52
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
TSHR P16473 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.46

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
SCHEMBL6470481 0.91 PDE4D (0.54) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL10729104 0.88 THRA (0.54) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL6588871 0.88 CA12 (0.57) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL11619672 0.86 CTNNB1 (0.54) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL11476787 0.84 GSK3B (0.54) CTNNB1WNT3ATSHRCA12CA1
SCHEMBL30313764 0.83 CTNNB1 (0.71) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL6600362 0.83 CTNNB1 (0.71) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL5729109 0.83 ALDH1A1 (0.65) CTNNB1WNT3APDE4DPDE4APDE4B
SCHEMBL8962350 0.82 HPGD (0.54) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL901309 0.81 CA12 (0.71) TSHRCA12CA1CA2CA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
US-4127666-A ANTIEMETIC UNIVERSITE D'ORLEANS (FR) 1978-11-28 US disclosed