SCHEMBL8065140

SCHEMBL8065140

C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRIK1 P39086 11/20 0.48
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNK2 O95069 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8065142 1.00 DHODH (0.52) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8059539 0.90 KDM4E (0.57) DHODHTRPM8KDM4EALDH1A1RAB9A
SCHEMBL8059537 0.90 KDM4E (0.57) DHODHTRPM8KDM4EALDH1A1RAB9A
SCHEMBL8061624 0.90 DHODH (0.60) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8061620 0.90 DHODH (0.60) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8048240 0.86 DHODH (0.71) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8048243 0.86 DHODH (0.71) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8059669 0.86 DHODH (0.60) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8059672 0.86 DHODH (0.60) DHODHTRPM8KDM4EALDH1A1MEN1
SCHEMBL8059657 0.86 GRIK1 (0.60) DHODHTRPM8KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
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