SCHEMBL8059425

SCHEMBL8059425

CC(=Cc1cccc(C)c1)C(=O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
GRIK1 P39086 15/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRIK2 Q13002 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL8059421 1.00 DHODH (0.56) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8059672 0.92 DHODH (0.60) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8059669 0.92 DHODH (0.60) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8061646 0.91 DHODH (0.56) DHODHTRPM8KDM4EMEN1ALDH1A1
SCHEMBL8061649 0.91 DHODH (0.56) DHODHTRPM8KDM4EMEN1ALDH1A1
SCHEMBL8065907 0.89 DHODH (0.71) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8065905 0.89 DHODH (0.71) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8064194 0.88 GRIK1 (0.60) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8064190 0.88 GRIK1 (0.60) DHODHTRPM8GRIK1KDM4EMEN1
SCHEMBL8059671 0.87 GRIK1 (0.58) DHODHTRPM8GRIK1KDM4EMEN1

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
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed