SCHEMBL11623481

SCHEMBL11623481

O=C(CCl)NCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.62
TEAD1 P28347 1/20 0.51
YAP1 P46937 1/20 0.51
TEAD4 Q15561 1/20 0.51
TEAD2 Q15562 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7439603 0.85 RAB9A (0.47) GSK3BMAPTALDH1A1CYP1A2BLM
SCHEMBL23014249 0.84 MEN1 (0.51) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL5640455 0.84 GSK3B (0.50) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL6768977 0.83 ALDH1A1 (0.61) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL14830961 0.81 ERCC5 (0.58) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL6200322 0.81 MEN1 (0.62) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL20245318 0.81 ALDH1A1 (0.50) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL20245364 0.81 KMT2A (0.48) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL22570668 0.81 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL22570705 0.80 TSHR (0.43) GSK3BMEN1KMT2AMAPTALDH1A1

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-4123541-A ANTIINFLAMMATORY AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-10-31 US disclosed
US-4101660-A ANTIIFLAMMATORY AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US disclosed