SCHEMBL8928671

SCHEMBL8928671

CCCSc1nc(-c2ccc(OCC)cc2O)nc(-c2ccc(OCC)cc2O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ GPR55 Q9Y2T6 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ TP53 P04637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL8928588 0.91 NPC1 (0.46) LMNAGAAADORA3ADORA1MAPT
SCHEMBL8928652 0.89 LMNA (0.43) LMNACNR1CNR2GPR55GAA
SCHEMBL8929345 0.88 NPC1 (0.55) LMNAGAAADORA3ADORA1MAPT
SCHEMBL29502803 0.85 NPC1 (0.51) LMNACNR1CNR2GPR55GAA
SCHEMBL14813681 0.85 NPC1 (0.51) LMNACNR1CNR2GPR55GAA
SCHEMBL8769121 0.85 MAPK1 (0.54) LMNACNR1CNR2GPR55GAA
SCHEMBL8929322 0.81 MAPT (0.46) LMNAGAAMAPTKMT2AMEN1
SCHEMBL15297999 0.79 ADORA3 (0.48) LMNACNR1CNR2GPR55GAA
SCHEMBL6518126 0.78 MEN1 (0.46) LMNACNR1CNR2GPR55GAA
SCHEMBL16132647 0.77 CNR1 (0.50) LMNACNR1CNR2GPR55GAA

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
US-5649980-A Process for the photochemical and thermal stabilization of undyed and dyed polyester fibre materials CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
EP-0584044-A1 Process for photochemical and thermal stabilization of undyert and dyert polyester fibrous materials CIBA-GEIGY AG (CH) 1994-02-23 — — EP disclosed
Send feedback