SCHEMBL10450835

SCHEMBL10450835

CC[C@H]1CC[C@H](C2CCC(C3CC[C@](C)(C(=O)OC)C(=O)C3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10451200 1.00 MEN1 (0.31) MEN1KMT2ACYP19A1NPC1MAPT
SCHEMBL10451201 0.90 TLR4 (0.40) MEN1KMT2AMAPT
SCHEMBL10451075 0.88 MEN1 (0.39) MEN1KMT2ACYP19A1MAPT
SCHEMBL10449456 0.88 MEN1 (0.39) MEN1KMT2ACYP19A1MAPT
SCHEMBL10449226 0.87 NAAA (0.40) MAPT
SCHEMBL10448740 0.87 NAAA (0.40) MAPT
SCHEMBL10450721 0.86 CYP1A2 (0.37) MEN1KMT2A
SCHEMBL10451190 0.86 CYP1A2 (0.37) MEN1KMT2A
SCHEMBL10450482 0.86 MEN1 (0.31) MEN1KMT2A
SCHEMBL10451514 0.86 MEN1 (0.31) MEN1KMT2A

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-4943384-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-07-24 US disclosed