SCHEMBL8178482

SCHEMBL8178482

CC(C)(COc1ccc(N)cc1C(F)(F)F)COc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
AAK1 Q2M2I8 16/20 0.43
CYP3A4 P08684 2/20 0.43
GSK3A P49840 1/20 0.41
PRKG2 Q13237 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 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
SCHEMBL2791295 0.88 ALDH1A1 (0.53) GLAPOLBGAATSHRAAK1
SCHEMBL12440410 0.83 MAPT (0.54) GLAPOLBGAATSHRCYP3A4
SCHEMBL26460476 0.82 GAA (0.53) GLAPOLBGAATSHRKDM4E
SCHEMBL28390457 0.80 GAA (0.60) GLAPOLBGAATSHRKDM4E
SCHEMBL28801748 0.79 GAA (0.46) GLAPOLBGAATSHRAAK1
SCHEMBL12678747 0.79 GAA (0.46) GLAPOLBGAATSHRAAK1
SCHEMBL2793455 0.79 GAA (0.46) GLAPOLBGAATSHRKDM4E
SCHEMBL2791165 0.78 POLB (0.48) GLAPOLBGAATSHRKDM4E
SCHEMBL3423050 0.78 S1PR1 (0.56) GLAPOLBGAATSHRKDM4E
SCHEMBL8175332 0.77 ALDH1A1 (0.43) POLBGAATSHRAAK1CYP3A4

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-6051722-A PRECURSOR FOR POLYIMIDE COPOLYMER; USABLE IN OPTICAL LONG-DISTANCE COMMUNICATION, SIGNAL PROCESSING, PHOTOELECTRIC HYBRID CIRCUITS AND OPTICAL COMPUTERS HITACHI CHEMICAL COMPANY, LTD. (JP) 2000-04-18 US disclosed