SCHEMBL6506148

SCHEMBL6506148

Cc1sc(-c2ccccc2Cl)nc1C(=O)NCC(c1ccc(OC2CCCC2)cc1)C(OC(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FFAR2 O15552 1/20 0.37
ACACB O00763 2/20 0.35
P2RX7 Q99572 5/20 0.35
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
FFAR1 O14842 1/20 0.33
SCD O00767 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL6496229 0.91 SHMT1 (0.36) KMT2AHTTMEN1RXFP1ACACB
SCHEMBL6496508 0.89 FFAR2 (0.35) KMT2AHTTMEN1RXFP1FFAR2
SCHEMBL6497551 0.88 P2RX3 (0.37) KMT2AHTTMEN1RXFP1ACACB
SCHEMBL6505584 0.87 DGAT1 (0.38) KMT2AMEN1RXFP1FFAR2ACACB
SCHEMBL6495943 0.86 FFAR1 (0.39) ACACBPPARAALDH1A1MAPK1SMN1; SMN2
SCHEMBL6503012 0.86 MAPT (0.39) KMT2AMEN1RXFP1FFAR2ACACB
SCHEMBL7684255 0.79 SHMT1 (0.40) HTTALDH1A1SMN1; SMN2
SCHEMBL6496054 0.78 KDM4E (0.40) KMT2AHTTMEN1ACACBALDH1A1
SCHEMBL6498480 0.78 CTSA (0.39) P2RX7ALDH1A1SMN1; SMN2
SCHEMBL6506146 0.75 EPHX2 (0.37) FFAR2PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed