SCHEMBL2654795

SCHEMBL2654795

COC(=O)c1ccc(CCC(C)CSc2ccc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.44
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CKS1B P61024 1/20 0.41
SKP2 Q13309 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41

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
SCHEMBL2655148 0.86 HSP90AA1 (0.46) KMT2AHSP90AA1ALDH1A1MAOANPC1
SCHEMBL2653361 0.82 NPC1 (0.49) KMT2AHSP90AA1ALDH1A1CYP1A2HPGD
SCHEMBL2653558 0.78 CYP4A11 (0.56) CCR6HKDC1CYP4A11CYP4F2KMT2A
SCHEMBL2653681 0.76 CYP4A11 (0.61) CCR6HKDC1CYP4A11CYP4F2KMT2A
SCHEMBL2585292 0.75 KMT2A (0.49) CYP4A11KMT2AALDH1A1HPGDLOXL2
SCHEMBL1018394 0.74 KMT2A (0.48) CYP4A11KMT2AALDH1A1HPGDLOXL2
SCHEMBL1253696 0.74 KMT2A (0.48) CYP4A11KMT2AALDH1A1HPGDLOXL2
SCHEMBL1018393 0.74 KMT2A (0.48) CYP4A11KMT2AALDH1A1HPGDLOXL2
SCHEMBL8293519 0.74 CYP4A11 (0.62) CCR6HKDC1CYP4A11CYP4F2KMT2A
SCHEMBL29055656 0.72 CYP4A11 (0.60) CCR6HKDC1CYP4A11CYP4F2KMT2A

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
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed