SCHEMBL8400879

SCHEMBL8400879

CC(C)(C)CC(C)(C)c1cccc(C(C)(C)c2ccc(-n3nc4ccccc4n3)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
SHBG P04278 1/20 0.35
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 4/20 0.31
RAB9A P51151 4/20 0.31
PARP1 P09874 1/20 0.30
TP53 P04637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL4398146 0.88 KDM4E (0.36) HTTKDM4EHPGDSHBGPPARG
SCHEMBL4387585 0.82 NPC1 (0.37) KDM4ESHBGCA2ATMNPC1
SCHEMBL27341518 0.82 GABRA1 (0.45) HTTKDM4EHPGDPPARGPPARA
SCHEMBL30389113 0.79 NPC1 (0.40) HTTKDM4EHPGDSHBGPPARG
SCHEMBL2944734 0.79 NPC1 (0.40) HTTKDM4EHPGDSHBGPPARG
SCHEMBL9488921 0.78 ALDH1A1 (0.44) HTTKDM4EHPGDPPARGPPARA
SCHEMBL8415489 0.77 KDM4E (0.45) HTTKDM4EHPGDPPARGPPARA
SCHEMBL3320508 0.77 RAB9A (0.37) HTTKDM4EHPGDSHBGPPARG
SCHEMBL7900910 0.76 NPC1 (0.42) HTTKDM4EHPGDSHBGPPARG
SCHEMBL11470802 0.75 CNR1 (0.35) KDM4EHPGDPPARGPPARA

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-5965641-A A STERICALLY HINDERED PIPERIDINE COMPOUND, OR AN OLIGOMERIC OR POLYMERIC STERICALLY HINDERED PIPERIDINE COMPOUND CONTAINING ONE OR SEVERAL TRIAZINE UNITS; RADIATION RESISTANCE, OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-10-12 US disclosed