SCHEMBL14610314

SCHEMBL14610314

BC[C@H]1CCOC(=O)N1CCCc1sc(C(=O)OC(C)C)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL4105346 0.92 KMT2A (0.34) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL13871659 0.92 KMT2A (0.34) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL13871658 0.89 FLT3 (0.32) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL13871657 0.81 ALDH1A1 (0.34) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL4114149 0.76 PTGER4 (0.38) —
SCHEMBL4106475 0.72 PTGER4 (0.34) —
SCHEMBL14610312 0.71 ALDH1A1 (0.36) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL4116123 0.70 PTGER4 (0.41) —
SCHEMBL4112956 0.69 PTGER4 (0.46) —
SCHEMBL4105625 0.68 PTGER4 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO disclosed
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