SCHEMBL7526201

SCHEMBL7526201

CCCC(OC(=O)/C(C)=C/O)OC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 1/20 0.37
ABCB1 P08183 2/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 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
SCHEMBL7522851 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL1415649 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL7526211 0.78 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL1415830 0.78 ABCB1 (0.42) ALDH1A1AKR1C3ABCB1KDM4EHPGD
SCHEMBL1415745 0.78 SMN1; SMN2 (0.40) ALDH1A1CYP3A4CYP2C9MEN1KMT2A
SCHEMBL7528593 0.78 ABCB1 (0.42) ALDH1A1AKR1C3ABCB1KDM4EHPGD
SCHEMBL3796905 0.74 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL2013038 0.73 LMNA (0.55) ALDH1A1CYP1A2MEN1KMT2ALMNA
SCHEMBL1415646 0.73 L3MBTL1 (0.49) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9
SCHEMBL4762168 0.73 AKR1C3 (0.46) ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020146515-A1 Aqueous compositions for coating metal components BASF AKTIENGESELLSCHAFT (DE) 2002-10-10 US disclosed
US-6242515-B1 ESPECIALLY SEALING POLYURETHANE FOAMS WITH A CURABLE MIXTURE OF AN ADDITION COPOLYMER CONTAINING CARBONYL GROUPS AND A DI-OR POLYCARBOXYLIC ACID HYDRAZIDE BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
US-5763012-A PROTECTIVE COATINGS AND SEALS BASF AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed