SCHEMBL6276239

SCHEMBL6276239

[CH2]C=CCOc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.61
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 8/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
S1PR4 O95977 1/20 0.57
S1PR1 P21453 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSP90AA1 P07900 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
PLIN1 O60240 1/20 0.41

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
SCHEMBL10071264 0.88 NR1H4 (0.62) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL540859 0.86 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11100803 0.84 NR1H4 (0.72) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL2921932 0.83 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL12869943 0.83 NR1H4 (0.70) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL4000856 0.81 NR1H4 (0.55) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL4251908 0.81 NR1H4 (0.55) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1147726 0.81 NR1H4 (0.61) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1068265 0.81 MEN1 (0.85) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL8013194 0.80 NR1H4 (0.54) NR1H4MEN1KMT2AMAPTLMNA

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
WO-2005107693-A1 CLEAR AND AQUEOUS COSMETIC AND DERMATOLOGICAL LIGHT PROTECTION PREPARATIONS CONTAINING WATER-SOLUBLE AND OIL-SOLUBLE UV-FILTERING SUBSTANCES BEIERSDORF AG (DE) 2005-11-17 WO disclosed