SCHEMBL8686332

SCHEMBL8686332

CC1(C)CCC(C)(C)c2cc(C#CC(=O)c3ccccc3C(=O)O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.60
RARG P13631 10/20 0.60
RARA P10276 7/20 0.60
CYP26A1 O43174 3/20 0.60
CYP3A4 P08684 2/20 0.60
CRABP2 P29373 1/20 0.60
RXRA P19793 12/20 0.45
RXRB P28702 9/20 0.44
RXRG P48443 6/20 0.44
CYP26B1 Q9NR63 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
SCHEMBL8580705 0.83 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7715323 0.82 RARB (0.80) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7882967 0.81 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7714910 0.78 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8681621 0.78 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8683606 0.78 RARB (0.51) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342932 0.77 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7872264 0.76 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6373022 0.76 RARB (0.75) RARBRARGRARACYP26A1CYP3A4
SCHEMBL22426598 0.76 RARB (0.67) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US claimed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed