SCHEMBL9503356

SCHEMBL9503356

CC(CCOc1ccccc1)CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
SIGMAR1 Q99720 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
HTR1B P28222 2/20 0.52
LMNA P02545 1/20 0.52
HTR1D P28221 1/20 0.52
LTA4H P09960 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL6463047 0.92 LTA4H (0.53) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL11583149 0.90 KCNA3 (0.52) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL4762110 0.89 KCNA3 (0.52) KCNA3SIGMAR1HTR1BLMNALTA4H
SCHEMBL7536898 0.89 KCNA3 (0.52) KCNA3SIGMAR1HTR1BLMNALTA4H
SCHEMBL24741070 0.88 ALDH1A1 (0.55) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL9426483 0.88 HDAC3 (0.50) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL8313050 0.88 KCNA3 (0.50) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL11581933 0.87 LTA4H (0.59) KCNA3SIGMAR1ALDH1A1HTR1BLMNA
SCHEMBL195569 0.86 TDP1 (0.64) KCNA3SIGMAR1TAAR1ALDH1A1RECQL
SCHEMBL18683267 0.86 SIGMAR1 (0.63) KCNA3SIGMAR1TAAR1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5000987-A None JP disclosed
JP-H05987-A AROMATIC ETHER FUJI PHOTO FILM CO LTD 1993-01-08 JP disclosed