SCHEMBL14729649

SCHEMBL14729649

Bc1ccc(-c2ccc(O)cc2)s1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.70
ESR1 P03372 5/20 0.70
ESR2 Q92731 5/20 0.70
HSD17B1 P14061 6/20 0.53
HSD17B2 P37059 6/20 0.53
ESRRG P62508 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL13473685 0.88 APP (0.48) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL1181642 0.83 APP (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL15380796 0.80 APP (0.94) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL4778599 0.80 APP (0.94) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14376616 0.77 HSD17B1 (0.42) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL18020144 0.76 HSD17B1 (0.48) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12708064 0.76 SNCA (0.50) APPESR1ESR2
SCHEMBL13335779 0.74 APP (0.81) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL12700333 0.74
SCHEMBL4444739 0.73 APP (0.70) APPESR1ESR2HSD17B1HSD17B2

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
EP-1928822-B1 VIOLET LASER EXCITABLE DYES AND THEIR METHOD OF USE LIFE TECHNOLOGIES CORP (US) 2013-02-27 EP disclosed