SCHEMBL7684480

SCHEMBL7684480

COC(=O)/C(=C\SC)c1ccccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 6/20 0.38
KDM4E B2RXH2 2/20 0.35
RCE1 Q9Y256 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
NLRP3 Q96P20 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL6156562 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL5669568 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL8035923 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL5998396 0.85 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL5998392 0.85 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL29437612 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL1263085 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL5257839 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL5257837 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHPGDKDM4ERCE1
SCHEMBL7691194 0.83 ERCC5 (0.36) ALDH1A1LMNAHTTKMT2A

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-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed