SCHEMBL6311708

SCHEMBL6311708

C=C(c1ccccc1)c1ccccc1.C=Cc1ccc(C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS2 P35354 2/20 0.37
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
FKBP5 Q13451 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
Styrene SCHEMBL28111144 0.83 ALDH1A1 (0.58) CES2CES1KMT2AMEN1TDP1
SCHEMBL293173 0.81 ALDH1A1 (0.50) TDP1TP53ALDH1A1TSHRLMNA
SCHEMBL29407001 0.81 ALDH1A1 (0.50) TDP1TP53ALDH1A1TSHRLMNA
SCHEMBL29882815 0.80 CES2 (0.60) CES2CES1KMT2AMEN1ALDH1A1
SCHEMBL8642659 0.80 CES2 (0.60) CES2CES1KMT2AMEN1ALDH1A1
Ethane SCHEMBL28057226 0.80 ALDH1A1 (0.52) CES2CES1KMT2AMEN1TDP1
SCHEMBL8383017 0.79 ALDH1A1 (0.56) CES2CES1KMT2AMEN1TDP1
SCHEMBL7786381 0.78 ALDH1A1 (0.50) KMT2AMEN1TDP1TP53ALDH1A1
Styrene SCHEMBL6443572 0.77 ALDH1A1 (0.67) KMT2AMEN1TDP1TP53ALDH1A1
O-Xylene SCHEMBL27822197 0.77 MEN1 (0.56) CES2CES1KMT2AMEN1ALDH1A1

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-6866707-B2 Ink set for ink jet recording and ink jet recording process SEIKO EPSON CORPORATION (JP) 2005-03-15 US disclosed