SCHEMBL8002252

SCHEMBL8002252

CC1(C)c2ccccc2OCC(O)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
LTA4H P09960 3/20 0.36
HSD11B1 P28845 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
AKR1B1 P15121 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL963837 0.78 NISCH (0.53) DRD2LTA4HNISCHHTT
SCHEMBL9327109 0.70 POLB (0.55) NISCHAKR1B1HTT
SCHEMBL6687687 0.67 AKR1B1 (0.37) AKR1B1HTT
SCHEMBL47009 0.67 ALOX5 (0.44) MAPTHTT
SCHEMBL29360424 0.67 ALOX5 (0.44) MAPTHTT
SCHEMBL18943728 0.67 HTR2A (0.46) AKR1B1
SCHEMBL18963213 0.67 NISCH (0.35) DRD2HSD11B1NISCHAKR1B1KDM4E
SCHEMBL14635719 0.67 ALDH1A1 (0.36) NISCHKDM4ELMNAMAPTHTT
SCHEMBL9325886 0.67 ALDH1A1 (0.46) AKR1B1LMNAMAPTHTTHSD17B10
Phosphine SCHEMBL17530281 0.65 ALOX5 (0.42) MAPTHTT

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-6294301-B1 BARRIER LAYER COMPRISES A POLYESTER-CO-IMIDE, POLYESTERIONOMER-CO-IMIDE OR POLYAMIDE-CO-IMIDE NEXPRESS SOLUTIONS LLC 2001-09-25 US disclosed