SCHEMBL7937368

SCHEMBL7937368

CC1(C)CCCc2cc(CC#Cc3ccc(C(=O)O)c(O)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.40
RARB P10826 8/20 0.40
RARG P13631 6/20 0.40
RARA P10276 5/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 4/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 1/20 0.40
CRABP2 P29373 1/20 0.40
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PPARA Q07869 1/20 0.34
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7751144 0.93 RXRA (0.40) RXRARARBRARGRARARXRB
SCHEMBL6378170 0.86 RARB (0.52) RXRARARBRARGRARARXRB
SCHEMBL7751295 0.85 RARB (0.51) RXRARARBRARGRARARXRB
SCHEMBL7936336 0.82 PDK2 (0.37) RXRARARBRARGRARARXRB
SCHEMBL7751118 0.81 RARB (0.45) RXRARARBRARGRARARXRB
SCHEMBL7751250 0.80 RXRA (0.39) RXRARARBRARGRARARXRB
SCHEMBL7751123 0.79 RXRA (0.46) RXRARARBRARGRARARXRB
Diethanolamine SCHEMBL7753391 0.79 RARB (0.45) RXRARARBRARGRARARXRB
SCHEMBL7753397 0.78 RARB (0.50) RXRARARBRARGRARARXRB
SCHEMBL6340282 0.77 RARB (0.41) RXRARARBRARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US claimed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US claimed
US-6313162-B1 FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) 2001-11-06 US disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed