SCHEMBL8422409

SCHEMBL8422409

COC(=O)COc1cc(O)ccc1NC(=O)CCc1ccccc1OCCCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.53
▸ HPGD P15428 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL8422415 0.87 HPGD (0.48) HPGDMEN1MAPTKMT2AKDM4E
SCHEMBL8768516 0.82 FFAR1 (0.52) PPARDHPGDMEN1KMT2A
SCHEMBL8422575 0.78 SMN1; SMN2 (0.50) HPGDMEN1MAPTKMT2AKDM4E
SCHEMBL8768533 0.76 ALDH1A1 (0.51) HPGDMEN1MAPTKMT2AKDM4E
SCHEMBL8422412 0.76 MEN1 (0.48) HPGDMEN1MAPTKMT2AKDM4E
SCHEMBL8420658 0.73 SMN1; SMN2 (0.52) HPGDMEN1MAPTKMT2AKDM4E
SCHEMBL8768505 0.73 FFAR1 (0.44) PPARDMEN1KMT2ALMNAPOLB
SCHEMBL8420285 0.72 SMN1; SMN2 (0.62) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL9798378 0.71 PPARD (0.59) PPARDHPGDMEN1MAPTKMT2A
SCHEMBL17413764 0.70 FFAR1 (0.57) PPARDALDH1A1

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-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
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