SCHEMBL21028839

SCHEMBL21028839

CCCCc1cc(C(=O)O)c2ccc3c(CCCC)cc(-c4ccc(CCCCCCCCCCCc5ccc(-c6cc(CCCC)c7ccc8c(C(=O)O)cc(CCCC)c9ccc6c7c98)cc5)cc4)c4ccc1c2c34

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.50
RARA P10276 2/20 0.50
RARG P13631 1/20 0.50
DHODH Q02127 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 1/20 0.45
BRS3 P32247 1/20 0.43
MPL P40238 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
SCHEMBL21028835 0.81 RARB (0.38) RARBRARARARGMEN1ALDH1A1
SCHEMBL21028836 0.76 CHRNB4 (0.35) RARB
SCHEMBL29898487 0.75 RARB (0.63) RARBRARARARGDHODHMEN1
SCHEMBL9511147 0.75 RARB (0.67) RARBRARARARGMEN1ALDH1A1
SCHEMBL4584752 0.74 LIPG (0.41) MEN1ALDH1A1MAPTKMT2A
SCHEMBL11135668 0.73 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL5666124 0.73 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL9155410 0.73 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL5665865 0.73 RARB (0.64) RARBRARARARGMEN1ALDH1A1
SCHEMBL9247776 0.73 RARB (0.68) RARBRARARARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 US disclosed