SCHEMBL9854922

SCHEMBL9854922

CCCCOc1ccc(C#CC23CCC(c4ccc(CC)cc4)(CC2)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TSHR P16473 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL10510600 0.95 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9854893 0.95 TSHR (0.40) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9855243 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9855518 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10510820 0.91 ACACB (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9854836 0.90 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9855687 0.90 ACACB (0.41) ACACB
SCHEMBL9855186 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9855397 0.89 ACACB (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL10509772 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT

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-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed