SCHEMBL11077606

SCHEMBL11077606

CC(C)(C)c1cc(-n2nc3ccc(C(=O)Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.37
PTGS2 P35354 4/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TP53 P04637 2/20 0.34
CYP2C9 P11712 2/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1547141 0.89 RXRA (0.40) ALOX5PTGS2HSP90AA1TP53LMNA
SCHEMBL712969 0.83 NPC1 (0.38) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL29706577 0.83 NPC1 (0.38) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL11277905 0.83 ALOX5 (0.33) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL29349567 0.83 NPC1 (0.41) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL29241 0.83 NPC1 (0.41) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL22080465 0.82 NPC1 (0.37) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL13700658 0.82 MEN1 (0.34) ALOX5PTGS2RAB9AMEN1KMT2A
SCHEMBL24236671 0.81 NPC1 (0.36) ALOX5PTGS2NPC1RAB9AHSP90AA1
SCHEMBL24236672 0.81 NPC1 (0.36) ALOX5PTGS2NPC1RAB9AHSP90AA1

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-4481315-A LACQUERS CIBA-GEIGY CORPORATION (US) 1984-11-06 US disclosed
US-4289686-A FOR LACQUERS CIBA-GEIGY CORPORATION (US) 1981-09-15 US disclosed