SCHEMBL46927

SCHEMBL46927

CC(=O)OCCc1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.53
MRGPRX4 Q96LA9 8/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 1/20 0.46
NPC1 O15118 1/20 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
SCHEMBL6903869 0.83 ALDH1A1 (0.65) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL12808726 0.83 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
Benzoic Acid SCHEMBL11315587 0.81 TSHR (0.58) TP53PKMALDH1A1KMT2A
SCHEMBL111422 0.81 ALDH1A1 (0.64) TP53SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL4351183 0.81 ALDH1A1 (0.64) TP53SMN1; SMN2RAB9AALDH1A1NPC1
Benzene SCHEMBL19304565 0.81 ALDH1A1 (0.64) TP53SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL25284732 0.81 MRGPRX4 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL371526 0.80 FOLH1 (0.70) FOLH1MRGPRX4KMT2ANR4A2
SCHEMBL1560391 0.80 CYP4F2 (0.53) ALDH1A1CYP4F2CYP4A11
SCHEMBL1992145 0.80 CYP4F2 (0.53) ALDH1A1CYP4F2CYP4A11

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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed