SCHEMBL12808726

SCHEMBL12808726

COCCc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
MRGPRX4 Q96LA9 10/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL3859683 0.85 PARP1 (0.53) SMN1; SMN2RAB9ACYP4F2CYP4A11
SCHEMBL15019978 0.85 CYP4F2 (0.73) FOLH1MRGPRX4SMN1; SMN2RAB9ACYP4F2
SCHEMBL40246 0.85 CYP4F2 (0.49) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL46927 0.83 FOLH1 (0.53) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL25284732 0.83 MRGPRX4 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL371526 0.83 FOLH1 (0.70) FOLH1MRGPRX4KMT2ANR4A2
SCHEMBL27668384 0.83 FOLH1 (0.56) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL565902 0.82 MRGPRX4 (0.67) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL30628893 0.82 MRGPRX4 (0.67) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL28277763 0.82 MRGPRX4 (0.58) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116535-A Pseudo-osbeckia chinensis flower extract and application thereof 海南师范大学 2020-05-08 CN disclosed
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
CN-101723941-A “1,2,4” oxadiazole as a metabotropic glutamate receptor-5 modulator ASTRAZENECA AB 2010-06-09 CN disclosed
CN-101096368-A Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (SE) 2008-01-02 CN disclosed
CN-1984907-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-06-20 CN disclosed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN disclosed