SCHEMBL24259941

SCHEMBL24259941

CC1(C)CC(C)(C)C(C)(C)c2cc(S)ccc21

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PGR P06401 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
SCHEMBL5359574 0.75 RXRA (0.49) RARBRARGRXRARXRBRXRG
SCHEMBL24806898 0.69 BACE1 (0.34) PGR
SCHEMBL27259756 0.67 AKR1B1 (0.43)
SCHEMBL9721391 0.63 OPRM1 (0.41) RARBRARGRXRARXRBRXRG
SCHEMBL169731 0.60 OPRM1 (0.39)
SCHEMBL29401440 0.60 OPRM1 (0.39)
SCHEMBL3179509 0.60 CYP3A4 (0.37) RARBRARGRXRARXRBRXRG
SCHEMBL27259563 0.59 RARA (0.51) RARBRARGRXRA
SCHEMBL19259616 0.59 RARA (0.37) RARBRARGRXRA
SCHEMBL2353102 0.59 HTR2A (0.39)

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed