SCHEMBL11468389

SCHEMBL11468389

COC(=O)C(Br)c1cc(C)cs1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAF1 P04049 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL4011958 0.78 MAPK1 (0.39) KMT2AMEN1
SCHEMBL7846601 0.74 ALDH1A1 (0.49) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL7833590 0.73 ALDH1A1 (0.38) DAOKMT2AMEN1ATMLMNA
SCHEMBL7843105 0.71 NPC1 (0.38) DAOKMT2AMEN1
SCHEMBL5084496 0.70 HPGD (0.43) KMT2AMEN1LMNAALDH1A1CYP3A4
SCHEMBL7508732 0.70 NPC1 (0.36) DAOKMT2AMEN1LMNAALDH1A1
SCHEMBL7842196 0.70 CES2 (0.46) DAOKMT2AMEN1LMNAALDH1A1
SCHEMBL7843738 0.70 ELANE (0.38) DAOKMT2AMEN1LMNA
SCHEMBL7834093 0.70 CES2 (0.41) DAOKMT2AMEN1LMNAALDH1A1
SCHEMBL7843947 0.70 CES2 (0.41) DAOALDH1A1TSHR

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
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed