SCHEMBL10366996

SCHEMBL10366996

COC(=O)c1ccccc1C1CC(N)C(O)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.39
SIRT1 Q96EB6 1/20 0.39
CFTR P13569 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 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
SCHEMBL10366995 0.83 MEN1 (0.44) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL10367465 0.82 MTNR1A (0.40) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL10367171 0.80 HTR2C (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10574485 0.78 TAAR1 (0.40) ALDH1A1
SCHEMBL10367170 0.75 MAOB (0.48) KDM4ETDP1NPC1RAB9A
SCHEMBL10365622 0.75 CFTR (0.40) CFTR
SCHEMBL10366584 0.74 MAOB (0.41) KDM4EHPGDHSD17B10CFTRLMNA
SCHEMBL10574481 0.73 MAOB (0.45)
SCHEMBL9379992 0.73 CYP19A1 (0.36) KDM4EALDH1A1HTTHSD17B10CFTR
SCHEMBL16503311 0.72 TSHR (0.50) KDM4EALDH1A1HPGDNPSR1HTT

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
EP-0250265-B1 2-PHENYLBENZOXEPIN DERIVATIVE SUNTORY LIMITED (JP) 1990-09-05 EP disclosed
US-4845094-A HYPOGLYCEMIC, ANTICOAGULANT SUNTORY LIMITED (JP) 1989-07-04 US disclosed