SCHEMBL8093205

SCHEMBL8093205

COC(=O)c1ccc2c(c1)C(C)(c1cc3c(cc1C)C(C)(C)CCC3(C)C)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.50
RARG P13631 5/20 0.50
RARA P10276 4/20 0.48
RXRA P19793 13/20 0.46
CYP3A4 P08684 3/20 0.46
RXRB P28702 7/20 0.43
RXRG P48443 7/20 0.43
CYP26A1 O43174 3/20 0.43
PPARG P37231 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL6733785 0.91 RXRA (0.46) RARBRARGRARARXRACYP3A4
SCHEMBL7801892 0.87 RXRA (0.58) RARBRARGRARARXRARXRB
SCHEMBL6734636 0.84 CYP3A4 (0.51) RARBRARGRARARXRACYP3A4
SCHEMBL16744298 0.79 RARB (0.73) RARBRARGRARARXRACYP3A4
SCHEMBL6734814 0.78 RXRA (0.58) RARBRARGRARARXRARXRB
SCHEMBL29595859 0.77 RARB (0.52) RARBRARGRARAALDH1A1TSHR
SCHEMBL20887637 0.77 RARB (0.52) RARBRARGRARAALDH1A1TSHR
SCHEMBL8101333 0.77 RARB (0.47) RARBRARGRARARXRACYP3A4
SCHEMBL7771646 0.76 RXRA (0.41) RARBRARGRARARXRACYP3A4
SCHEMBL7801865 0.76 RXRA (0.39) RARBRARGRARARXRARXRB

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-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US disclosed