SCHEMBL9509987

SCHEMBL9509987

CCCCCc1ccc(C#Cc2ccc(OCCOCCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
USP2 O75604 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
CYP3A4 P08684 1/20 0.68
MAPK1 P28482 1/20 0.68
CASP1 P29466 1/20 0.68
KMT2A Q03164 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SLCO1B3 Q9NPD5 1/20 0.68
SLCO1B1 Q9Y6L6 1/20 0.68
ACACB O00763 3/20 0.51
APP P05067 12/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9511774 0.99 MEN1 (0.70) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9512214 0.99 MEN1 (0.70) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9509999 0.95 MEN1 (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9508774 0.91 MEN1 (0.63) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL19916789 0.91 LMNA (0.80) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL15294293 0.91 LMNA (0.80) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9514290 0.91 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9511336 0.90 ALDH1A1 (0.66) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9508722 0.90 ALDH1A1 (0.66) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9509250 0.90 ALDH1A1 (0.54) MEN1USP2ALDH1A1LMNACYP3A4

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed