SCHEMBL8385239

SCHEMBL8385239

CCCCC#Cc1ccc(C(=O)O)cc1NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38

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
SCHEMBL8384652 0.83 FFAR1 (0.39) PDK1PDK2PDK3PDK4POLB
SCHEMBL2233293 0.82 ALDH1A1 (0.43) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL8387254 0.80 KMT2A (0.42) CYP1A2CYP2C9CYP3A4CYP2D6MAPT
SCHEMBL5667645 0.77 ALDH1A1 (0.47) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL8386235 0.77 SLC16A3 (0.44) CYP1A2CYP2C9KDM4ELMNACYP3A4
SCHEMBL5669097 0.76 ALDH1A1 (0.46) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL5667007 0.75 ALDH1A1 (0.43) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL2835012 0.75 ALDH1A1 (0.45) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL5668233 0.75 ALDH1A1 (0.41) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA
SCHEMBL5669192 0.74 ALDH1A1 (0.47) CYP1A2CYP2C9SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932743-A Methods for the solid phase synthesis of substituted indole compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999009007-A1 SOLID PHASE SYNTHESIS OF 2,3-DISUBSTITUTED INDOLE COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-25 WO disclosed
EP-0783306-A4 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO INC (US) 1998-09-23 EP disclosed
EP-0783306-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996009824-A1 METHOD FOR IMPROVING REPRODUCTIVE EFFICIENCY IN FARM ANIMALS MERCK & CO., INC. (US) 1996-04-04 WO disclosed