SCHEMBL9626091

SCHEMBL9626091

COC(OC)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.51
RARG P13631 8/20 0.51
RARA P10276 6/20 0.51
RXRA P19793 9/20 0.49
RXRB P28702 8/20 0.49
CYP3A4 P08684 3/20 0.45
CYP26A1 O43174 2/20 0.45
CYP26B1 Q9NR63 1/20 0.45
RXRG P48443 5/20 0.41
PPARG P37231 3/20 0.38

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
SCHEMBL9626066 0.81 RXRA (0.46) RARBRARGRARARXRARXRB
SCHEMBL3175854 0.79 RXRA (0.57) RARBRARGRARARXRARXRB
SCHEMBL6147437 0.77 RARB (0.57) RARBRARGRARARXRARXRB
SCHEMBL9626370 0.77 RARA (0.40) RARBRARGRARARXRARXRB
SCHEMBL9551729 0.77 RARB (0.54) RARBRARGRARARXRARXRB
SCHEMBL5847922 0.76 RARA (0.39) RARBRARGRARARXRARXRB
SCHEMBL9626012 0.76 RARA (0.39) RARBRARGRARARXRARXRB
SCHEMBL11240964 0.76 RXRA (0.54) RARBRARGRARARXRARXRB
SCHEMBL3541162 0.76 RXRA (0.58) RARBRARGRARARXRARXRB
SCHEMBL9266797 0.74 CYP3A4 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339521-B1 PROCESS FOR MANUFACTURING TETRALIN DERIVATIVES, AND TETRALIN DERIVATIVES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4950369-A Preparation of tetralin derivatives, and novel tetralin derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed
EP-0339521-A1 Process for manufacturing tetralin derivatives, and tetralin derivatives BASF Aktiengesellschaft (DE) 1989-11-02 EP disclosed