SCHEMBL7765745

SCHEMBL7765745

O=C(O)c1cccc(CCc2ccccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.54
TSHR P16473 1/20 0.54
SLC16A3 O15427 7/20 0.53
ALDH1A1 P00352 1/20 0.50
ADRB2 P07550 1/20 0.50
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.48
NR4A2 P43354 1/20 0.47
MRGPRX4 Q96LA9 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
SCHEMBL10872766 0.89 FOLH1 (0.52) FOLH1TSHRSLC16A3MRGPRX4
SCHEMBL1817886 0.86 FOLH1 (0.66) FOLH1KMT2ANR4A2MRGPRX4
SCHEMBL166927 0.86 FOLH1 (0.66) FOLH1TSHRALDH1A1ADRB2HTT
SCHEMBL29975597 0.86 FOLH1 (0.66) FOLH1TSHRALDH1A1ADRB2HTT
SCHEMBL30395109 0.86 FOLH1 (0.66) FOLH1KMT2ANR4A2MRGPRX4
SCHEMBL371526 0.86 FOLH1 (0.70) FOLH1KMT2ANR4A2MRGPRX4
SCHEMBL4861257 0.85 TSHR (0.70) FOLH1TSHRKMT2ANR4A2
SCHEMBL8702953 0.84 FOLH1 (0.63) FOLH1TSHRALDH1A1ADRB2HTT
Hydrochloric Acid SCHEMBL7699238 0.84 FOLH1 (0.63) FOLH1TSHRALDH1A1ADRB2HTT
SCHEMBL4394949 0.84 FOLH1 (0.51) FOLH1TSHRSLC16A3ALDH1A1ADRB2

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-2001087829-A1 BISACYLGUANIDINE MERCK PATENT GMBH (DE) 2001-11-22 WO disclosed