SCHEMBL13845285

SCHEMBL13845285

CCCOc1ccc(OC(=O)c2ccc(OC(C)OCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
NPC1 O15118 2/20 0.50
CYP2C9 P11712 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 5/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
PLK1 P53350 1/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.45
ADRB2 P07550 1/20 0.44

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
SCHEMBL10162614 0.86 LMNA (0.55) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL13845266 0.85 PARP10 (0.49) MAPTLMNASMN1; SMN2NPC1PRSS1
SCHEMBL11867653 0.85 KMT2A (0.53) MAPTPRSS1ACRKMT2AL3MBTL1
SCHEMBL17515627 0.84 LMNA (0.65) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9905870 0.84 LMNA (0.65) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9761195 0.84 LMNA (0.50) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL13845284 0.84 MAPT (0.51) MAPTSMN1; SMN2NPC1PRSS1ACR
SCHEMBL9761461 0.84 LMNA (0.50) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9905980 0.83 KMT2A (0.64) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9905978 0.83 KMT2A (0.64) MAPTLMNASMN1; SMN2CYP1A2CYP2C19

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed