SCHEMBL11680952

SCHEMBL11680952

O=C(CC1OCCO1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PHGDH O43175 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL7287642 0.82 KMT2A (0.53) GSK3BMAPTALDH1A1KMT2AERCC5
SCHEMBL867151 0.77 GSK3B (0.55) GSK3BMAPTERCC5FEN1KDM4E
SCHEMBL21747244 0.76 KMT2A (0.50) GSK3BMAPTALDH1A1KMT2ACES2
SCHEMBL10513754 0.75 GSK3B (0.44) GSK3BMAPTALDH1A1KMT2AERCC5
SCHEMBL29171625 0.73 NPC1 (0.56) GSK3BMAPTNPC1RAB9AHRH3
SCHEMBL826542 0.72 SLC7A5 (0.51) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL15905943 0.72 SLC7A5 (0.51) MAPTALDH1A1KMT2AKDM4EALOX15
SCHEMBL14679505 0.72 ANPEP (0.38)
SCHEMBL16552727 0.71 GSK3B (0.70) GSK3BMAPTALDH1A1KMT2AERCC5
SCHEMBL600674 0.71 ERCC5 (0.72) GSK3BMAPTALDH1A1KMT2AERCC5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4028381-A ANTIANXIETY AND ANTIDEPRESSANT AGENTS CIBA-GEIGY CORPORATION (US) 1977-06-07 US disclosed
US-4022801-A ANTIANXIETY AND ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed
US-3947585-A ANTIANXIETY, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1976-03-30 US disclosed