SCHEMBL8713719

SCHEMBL8713719

COC(=O)c1cc(N(CCO)C(C)Cc2ccccc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EGFR P00533 3/20 0.41
NOX4 Q9NPH5 1/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL8714022 0.83 SIGMAR1 (0.43) MAPTTSHRLMNARAB9AMEN1
SCHEMBL8718550 0.80 HDAC1 (0.45) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL8714181 0.79 SIGMAR1 (0.40) BCL2L1
SCHEMBL8714374 0.77 SIGMAR1 (0.38) TSHRCYP3A4KDM4E
SCHEMBL8716243 0.76 ACHE (0.46) TSHRKMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL8717324 0.75 ALDH1A1 (0.44) MAPTTSHRRAB9AMEN1KMT2A
SCHEMBL8430263 0.75 SIGMAR1 (0.50) TSHRKDM4E
SCHEMBL8713645 0.74 SIGMAR1 (0.44) TSHRKDM4E
SCHEMBL8718156 0.72 SIGMAR1 (0.42) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL8719319 0.72 SLC7A5 (0.45) TSHRLMNAMEN1KMT2ACYP3A4

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed