SCHEMBL9746456

SCHEMBL9746456

CC1(C)CCC(C)(C)c2cc(C(O)c3ccc4cc(CO)ccc4c3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.63
RARB P10826 9/20 0.63
RARG P13631 9/20 0.63
RXRA P19793 3/20 0.54
CYP26A1 O43174 4/20 0.44
CYP26B1 Q9NR63 3/20 0.44
CYP3A4 P08684 1/20 0.44
RXRB P28702 2/20 0.42
PPARG P37231 4/20 0.41
RXRG P48443 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
SCHEMBL9746771 0.81 RARA (0.51) RARARARBRARGRXRACYP26A1
SCHEMBL10834477 0.80 RARB (0.59) RARARARBRARGRXRACYP26A1
SCHEMBL2095481 0.79 RXRA (0.57) RARARARBRARGRXRACYP26A1
SCHEMBL9747144 0.78 RARA (0.40) RARARARBRARGRXRACYP26A1
SCHEMBL6372648 0.77 RARB (1.00) RARARARBRARGRXRACYP26A1
SCHEMBL8457553 0.77 RARB (0.65) RARARARBRARGRXRACYP26A1
SCHEMBL9746853 0.77 RARB (0.65) RARARARBRARGRXRACYP26A1
SCHEMBL9822510 0.77 RARB (0.61) RARARARBRARGRXRACYP26A1
SCHEMBL10544159 0.76 RARB (0.79) RARARARBRARGRXRACYP26A1
SCHEMBL9746493 0.76 RARB (0.71) RARARARBRARGRXRACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220118-B1 BICYCLIC NAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-01-02 EP claimed
US-4177185-A PHENOL-ALDEHYDE RESIN AND POLYMERIC PHOSPHORYL NITRIDE OXIDE OR PRECURSOR THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1979-12-04 US claimed
US-4845162-A CLEAR, WINDOWS, WINDSHIELDS, MOLDING MATERIALS ALLIED-SIGNAL INC. (US) 1989-07-04 US disclosed
US-4826969-A SKIN AND EYE DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-05-02 US disclosed
US-4177185-A PHENOL-ALDEHYDE RESIN AND POLYMERIC PHOSPHORYL NITRIDE OXIDE OR PRECURSOR THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed
US-4177185-A PHENOL-ALDEHYDE RESIN AND POLYMERIC PHOSPHORYL NITRIDE OXIDE OR PRECURSOR THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1979-12-04 US disclosed