SCHEMBL6496229

SCHEMBL6496229

Cc1sc(-c2ccc(Cl)cc2Cl)nc1C(=O)NCC(c1ccc(OC2CCCC2)cc1)C(OC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 3/20 0.36
SHMT2 P34897 3/20 0.36
APP P05067 1/20 0.36
EPHX2 P34913 4/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2J2 P51589 2/20 0.35
CNR1 P21554 8/20 0.34
CNR2 P34972 4/20 0.34
ACACB O00763 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6506148 0.91 KMT2A (0.38) APPACACBMEN1HTTKMT2A
SCHEMBL6497551 0.90 P2RX3 (0.37) APPACACBMEN1HTTKMT2A
SCHEMBL7684255 0.89 SHMT1 (0.40) SHMT1SHMT2CYP2C9CNR1CNR2
SCHEMBL6496054 0.88 KDM4E (0.40) SHMT1SHMT2CYP2C9CNR1ACACB
SCHEMBL6495943 0.85 FFAR1 (0.39) APPACACBMAPTALDH1A1SMN1; SMN2
SCHEMBL6496508 0.80 FFAR2 (0.35) CNR2KDM4EMAPTMEN1HTT
SCHEMBL6505584 0.78 DGAT1 (0.38) ACACBKDM4EMAPTMEN1KMT2A
SCHEMBL6503012 0.77 MAPT (0.39) ACACBMAPTMEN1KMT2ARXFP1
SCHEMBL6495548 0.77 TP53 (0.40) ACACBMAPTMEN1KMT2AGAA
SCHEMBL6496225 0.76 WDR5 (0.36) SHMT1SHMT2EPHX2CYP2C9CNR1

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