SCHEMBL8063204

SCHEMBL8063204

C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.57
DHODH Q02127 4/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GRIK1 P39086 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SERPINE1 P05121 2/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
SLC2A1 P11166 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
AKR1C4 P17516 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
SCHEMBL8063205 1.00 MPO (0.57) MPODHODHTRPM8KDM4EHSD17B10
SCHEMBL8058349 0.92 GRIK1 (0.60) MPODHODHTRPM8KDM4EGRIK1
SCHEMBL8058348 0.92 GRIK1 (0.60) MPODHODHTRPM8KDM4EGRIK1
SCHEMBL8064143 0.88 KDM4E (0.53) MPODHODHTRPM8KDM4EHSD17B10
SCHEMBL8064144 0.88 KDM4E (0.53) MPODHODHTRPM8KDM4EHSD17B10
SCHEMBL8060343 0.88 DHODH (0.60) DHODHTRPM8KDM4EHSD17B10MEN1
SCHEMBL8060340 0.88 DHODH (0.60) DHODHTRPM8KDM4EHSD17B10MEN1
SCHEMBL8065170 0.87 KDM4E (0.52) MPODHODHTRPM8KDM4EHSD17B10
SCHEMBL8065176 0.87 KDM4E (0.52) MPODHODHTRPM8KDM4EHSD17B10
SCHEMBL8060484 0.87 DHODH (0.70) MPODHODHTRPM8KDM4EGRIK1

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