SCHEMBL8048080

SCHEMBL8048080

Cc1noc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.55
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL8060534 0.85 HTT (0.52) TRPV1MAPTNPC1NPSR1FLT1
SCHEMBL11375484 0.83 IP6K1 (0.58) MEN1KMT2ADHODHNPC1FLT1
SCHEMBL4332210 0.83 CYP1A2 (0.47) TRPV1MAPTMEN1KMT2ADHODH
SCHEMBL15280716 0.83 RAB9A (0.52) MAPTMEN1KMT2ANPC1NPSR1
SCHEMBL10665627 0.82 TRPV1 (0.55) TRPV1MAPTMEN1KMT2A
SCHEMBL14840387 0.81 IP6K1 (0.47) MAPTMEN1KMT2ANPC1FLT1
SCHEMBL22467553 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2ADHODHNPC1
SCHEMBL13508 0.81 PTGS1 (0.51) MAPTMEN1KMT2ADHODH
SCHEMBL14789796 0.81 RAB9A (0.51) MAPTMEN1KMT2ANPC1NPSR1
SCHEMBL928538 0.81 PTGS1 (0.54) MAPTMEN1KMT2A

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
CN-1265643-A Anthranilic acid analogs AMERICAN HOME PROD (US) 2000-09-06 CN disclosed
US-6096770-A ADMINISTERING ORALLY OR PARENTALLY, TO A PATIENT AN ANTHRANILIC ACID DERIVATIVE FOR REDUCING THE ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-01 US disclosed
EP-1003713-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
WO-1999007670-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed