SCHEMBL7946813

SCHEMBL7946813

CC(C)(C)OC(=O)N1C(=O)C2=C(c3ccc(C(C)(C)C)cc3)N(C(=O)OC(C)(C)C)C(=O)C2=C1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
BCHE P06276 1/20 0.39
KIF11 P52732 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
HDAC1 Q13547 1/20 0.33
SLC6A2 P23975 1/20 0.33
DTYMK P23919 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL7900611 0.95 BCHE (0.42) HSD11B1BCHEMAPTRAB9ADTYMK
SCHEMBL24565414 0.87 BCHE (0.40) BCHEMAPTPTPN2PTPN1PTPN6
SCHEMBL8949810 0.87 GPR119 (0.40) BCHEMAPTSMN1; SMN2PTPN2PTPN1
SCHEMBL6322676 0.85 MEN1 (0.43) BCHEMAPTSMN1; SMN2HTTPTPN2
SCHEMBL902929 0.85 BCHE (0.48) BCHEDTYMKTDP1
SCHEMBL12393911 0.82 GPR119 (0.41) BCHE
SCHEMBL7755310 0.81 KMT2A (0.40) BCHEMAPTSMN1; SMN2TDP1
SCHEMBL8053167 0.76 GPR119 (0.42) BCHEMAPT
SCHEMBL12393913 0.75 GPR119 (0.44) BCHEKIF11RAB9AHTT
SCHEMBL8069949 0.75 XPO1 (0.43) BCHESMN1; SMN2SLC6A2

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-6248165-B1 ORGANIC RED PIGMENTS FOR CELLULOSES AND PLASTICS; INCORPORATING A THIRD COMPONENT OF A DIKETOPYRROLE OR QUINACRIDONE PIGMENT INTO THE CRYSTAL LATTICE OF THE MIXED CRYSTAL; COLORFASTNESS; WEATHERPROOFING CIBA SPECIALTY CHEMICALS CORPORATION 2001-06-19 US disclosed
US-6036766-A SPINNING SOLUTIONS, PAINTS, COATINGS, PRINTING INKS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-03-14 US disclosed
US-5518539-A COLORFASTNESS FOR ORGANIC PIGMENT MIXTURES FOR SUBSTRATES CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed