SCHEMBL8711145

SCHEMBL8711145

CCOC(=O)CCCc1ccc2ccc(Sc3ccc(OC)cc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
GLA P06280 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
SCHEMBL8711141 0.83 ALOX5 (0.42) ALOX5CYP1A2MAPTKDM4ECYP3A4
SCHEMBL1239542 0.81 ALOX5 (0.65) ALOX5LMNAMAPTALDH1A1CYP4Z1
SCHEMBL6771529 0.80 CYP1A2 (0.63) ALOX5CYP1A2CYP3A4SMN1; SMN2GAA
SCHEMBL8848081 0.79 CYP4Z1 (0.49) ALOX5CYP1A2CYP3A4SMN1; SMN2GAA
SCHEMBL12946405 0.78 MAPT (0.68) NPC1RAB9ACYP1A2LMNAMAPT
SCHEMBL7999711 0.77 ALOX5 (0.59) ALOX5LMNAMAPTCYP4Z1CYP4F11
SCHEMBL8422184 0.76 HDAC1 (0.58) ALOX5CYP1A2GAACYP4Z1PPARG
SCHEMBL3675681 0.76 ALOX5 (0.57) ALOX5LMNAMAPTCYP4Z1CYP4F11
SCHEMBL7831694 0.75 HDAC1 (0.60) ALOX5CYP1A2GAACYP4Z1PPARG
SCHEMBL441220 0.74 KDM4E (0.59) ALOX5NPC1RAB9ACYP1A2LMNA

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-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed