SCHEMBL9560562

SCHEMBL9560562

CCCCCCCc1cnc(-c2ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.55
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RARA P10276 1/20 0.38
MTOR P42345 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL9560697 1.00 RARB (0.55) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560710 0.99 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560493 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560765 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560436 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9561040 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560767 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560927 0.96 RARB (0.53) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560280 0.95 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9560736 0.95 RARB (0.51) RARBMAPTSMN1; SMN2RAB9AMEN1

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-5190688-A Perfluoroalkyl Compounds Dopes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed
EP-0300009-B1 LIQUID CRYSTALLINE MIXTURE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed