SCHEMBL8058320

SCHEMBL8058320

COC(=O)C#Cc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.37
MAOB P27338 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL18104887 0.81 FFAR1 (0.50) FFAR1PTGDR2LMNAGAAPOLB
SCHEMBL3161990 0.80 FFAR1 (0.52) FFAR1PTGDR2LMNAGAAPOLB
SCHEMBL15841080 0.78 GRM5 (0.41) PTGDR2GAASMN1; SMN2NPC1RAB9A
SCHEMBL20089255 0.77 FFAR1 (0.45) FFAR1PTGDR2LMNAGAAPOLB
SCHEMBL27014452 0.77 FFAR4 (0.48) FFAR1LMNAGAASMN1; SMN2POLB
SCHEMBL15841077 0.76 FFAR1 (0.45) FFAR1GAANPC1RAB9AKDM4E
SCHEMBL459924 0.75 FFAR1 (0.48) FFAR1PTGDR2NPC1MEN1KMT2A
SCHEMBL852910 0.75 PTGDR2 (0.46) FFAR1PTGDR2POLBKMT2ACYP3A4
SCHEMBL28465228 0.72 LMNA (0.39) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL18104854 0.72 FFAR1 (0.43) FFAR1PTGDR2LMNAGAAPOLB

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
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