SCHEMBL18155855

SCHEMBL18155855

Cc1ccc(C(=O)c2ccccc2)c(C)c1C(=O)Pc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MYC P01106 1/20 0.37
SRD5A2 P31213 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28379551 0.84 AKR1C3 (0.48) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL18155869 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL7183105 0.81 CES2 (0.33) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL109891 0.76 ALDH1A1 (0.50) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL27437106 0.76 L3MBTL1 (0.41) AKR1C3ALDH1A1LMNAKDM4EMEN1
SCHEMBL1666971 0.76 ALDH1A1 (0.50) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL30007458 0.76 ALDH1A1 (0.50) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL10007412 0.75 ALDH1A1 (0.59) AKR1C3NPSR1ALDH1A1MAPTLMNA
SCHEMBL4583573 0.74 MEN1 (0.36) AKR1C3ALDH1A1MAPTLMNAKDM4E
SCHEMBL7183622 0.74 L3MBTL1 (0.40) AKR1C3ALDH1A1LMNAKDM4EMEN1

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
EP-2877500-B1 PHOTOPOLYMERISATION PROCESSES AND NOVEL COMPOUNDS THEREFOR LAMBSON LTD (GB) 2016-10-19 EP disclosed