SCHEMBL4933401

SCHEMBL4933401

CC(=O)C(C(C)C)(C(C)C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
EPHX1 P07099 2/20 0.38
NPC1 O15118 1/20 0.38
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.35
SLC22A2 O15244 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL1215028 0.71 MEN1 (0.33) ALDH1A1EPHX1NPC1CA2KMT2A
SCHEMBL7459280 0.70 SLC22A2 (0.39) ALDH1A1EPHX1NPC1MAPTSLC22A2
SCHEMBL2167747 0.68 CA2 (0.40) ALDH1A1EPHX1NPC1CA2MAPT
Acetic Acid SCHEMBL700515 0.68 THRB (0.42) ALDH1A1EPHX1SLC22A2SLC47A1LMNA
SCHEMBL5969137 0.68 SLC22A2 (0.38) ALDH1A1EPHX1NPC1MAPTSLC22A2
SCHEMBL9608676 0.68 MEN1 (0.36) ALDH1A1EPHX1NPC1MAPTKMT2A
SCHEMBL18844971 0.68 SMN1; SMN2 (0.38) ALDH1A1EPHX1NPC1SMN1; SMN2HTT
SCHEMBL441785 0.68 MEN1 (0.39) EPHX1LMNAKMT2A
SCHEMBL5969194 0.67 MEN1 (0.33) ALDH1A1EPHX1NPC1KMT2A
SCHEMBL172055 0.67 CYP17A1 (0.36) ALDH1A1EPHX1NPC1LMNAKMT2A

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-20080199805-A1 PHOTOSENSITIVE COMPOSITIONS EMPLOYING SILICON-CONTAINING ADDITIVES FUJIFILM ELECTRONIC MATERIALS. U.S.A., INC. 2008-08-21 US disclosed