SCHEMBL9817599

SCHEMBL9817599

CCCCCCCc1cnc(-c2ccc(CCc3ccc(C(=O)OC(C)CCCCCC)cc3)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.60
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43

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
SCHEMBL9239286 0.97 RARB (0.64) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10701492 0.96 RARB (0.62) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9361459 0.96 RARB (0.62) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL14525682 0.91 RARB (0.56) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9240202 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9237077 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9240084 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9236095 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9237462 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9236108 0.91 RARB (0.55) RARBMAPTSMN1; SMN2ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055221-A Rapidly switching ferroelectric display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed
EP-0227717-B1 NITROGEN-CONTAINING HETEROCYCLIC ESTERS MERCK PATENT GmbH (DE) 1990-04-25 EP disclosed
EP-0224579-B1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1990-01-24 EP disclosed
US-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 US disclosed