SCHEMBL4069376

SCHEMBL4069376

CCOc1ccc2ccccc2c1O[C]=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
SLC2A1 P11166 1/20 0.41
CXCR5 P32302 1/20 0.40
DHFR P00374 1/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2847505 0.83 ALOX5 (0.51) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL4370126 0.82 MAPT (0.55) ALDH1A1KDM4ERAB9AHPGDPOLB
SCHEMBL27730 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL15288342 0.78 ALDH1A1 (0.49) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL3977931 0.78 L3MBTL1 (0.51) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL2119647 0.78 ALOX5 (0.47) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL15288343 0.77 ALDH1A1 (0.49) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL23043919 0.76 ALOX5 (0.46) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL2284856 0.76 LTA4H (0.49) ALOX5ALDH1A1KDM4ETSHRLMNA
SCHEMBL9098138 0.76 MAPT (0.50) ALDH1A1KDM4ELMNARAB9AMAPK1

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-2009117036-A2 BIOACTIVE MOLECULES FROM CO-CULTIVATION OF MICROBES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-24 WO disclosed