SCHEMBL22322656

SCHEMBL22322656

CCCCC(CC)CN(CCCCCCN=C=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
TSHR P16473 4/20 0.34
USP2 O75604 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 5/20 0.33
BCL2L1 Q07817 3/20 0.33
BAK1 Q16611 3/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
APAF1 O14727 1/20 0.33

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
SCHEMBL6231305 0.82 ZDHHC20 (0.40) CA2TSHRMEN1KMT2AALOX15
SCHEMBL9702521 0.82 CA2 (0.44) CA2TSHRLMNACYP3A4MAPK1
SCHEMBL4380453 0.77 CA2 (0.42) CA2TSHRUSP2MEN1TP53
SCHEMBL12487111 0.77 MAOA (0.35)
SCHEMBL17363802 0.77 CA2 (0.48) CA2TSHRLMNACYP3A4MAPK1
SCHEMBL15225060 0.76 CA2 (0.36) CA2TSHRMEN1KMT2ALMNA
SCHEMBL9742204 0.76 ALDH1A1 (0.46) CA2TSHRLMNACYP3A4MAPK1
SCHEMBL22444395 0.75 CA2 (0.47) CA2TSHRLMNACYP3A4MAPK1
SCHEMBL29024394 0.75 CA2 (0.43) CA2TSHRUSP2MEN1TP53
Ammonia Solution, Strong SCHEMBL22444387 0.75 CA2 (0.47) CA2TSHRLMNACYP3A4MAPK1

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-3921352-A1 BISMUTH-CONTAINING CATALYST COMPRISING AT LEAST ONE AROMATIC SUBSTITUENT BASF Coatings GmbH (DE) 2021-12-15 EP disclosed
WO-2020160939-A1 BISMUTH-CONTAINING CATALYST COMPRISING AT LEAST ONE AROMATIC SUBSTITUENT BASF SE (DE) 2020-08-13 WO disclosed