SCHEMBL11921040

SCHEMBL11921040

C[C@H](Cc1ccc(Cl)cc1)NC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 7/20 0.46
CNR2 P34972 6/20 0.46
FPR2 P25090 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL464419 0.84 PSMB5 (0.51) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL3149541 0.81 ACACB (0.55) ACACBMEN1KMT2ARAB9ACYP1A2
SCHEMBL464416 0.80 PSMB5 (0.47) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL12204087 0.77 ACACB (0.57) ACACBRAB9ACNR1CNR2FPR2
SCHEMBL464442 0.76 LONP1 (0.57) HTT
SCHEMBL9893002 0.74 ACACB (0.82) ACACB
SCHEMBL26703849 0.72 ACACB (0.55) ACACBCYP1A2CYP2C19CNR1CNR2
SCHEMBL9891904 0.72 ACACB (0.61) ACACBMEN1KMT2ARAB9AFPR2
SCHEMBL464467 0.72 CTSB (0.50) CNR1
SCHEMBL3140995 0.72 ACACB (0.48) ACACBRAB9ACNR1CNR2FPR2

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
WO-2013025490-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2013-02-21 WO disclosed
EP-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
WO-2011146638-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASES CERULEAN PHARMA INC. (US) 2011-11-24 WO disclosed
WO-2011090940-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-07-28 WO disclosed