SCHEMBL7751245

SCHEMBL7751245

CC(C)(C)c1cc(C(O)C#Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1OCOCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 5/20 0.38
RARB P10826 4/20 0.38
RXRA P19793 4/20 0.33
RXRB P28702 4/20 0.33
RXRG P48443 2/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
NR4A2 P43354 1/20 0.32
MAPK1 P28482 2/20 0.32
RARA P10276 3/20 0.32
TP53 P04637 2/20 0.31
MDM2 Q00987 1/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLA2G4B P0C869 1/20 0.31
ACACB O00763 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL7928381 0.91 ALDH1A1 (0.37) MAPK1TP53MDM2TSHRHSD17B10
SCHEMBL7751141 0.87 EGLN1 (0.32)
SCHEMBL7928363 0.81 CA12 (0.33) MAPK1TP53
SCHEMBL7753389 0.81
SCHEMBL7751119 0.78
SCHEMBL8611723 0.76 THRA (0.42) RARGRARBRXRARXRBRXRG
SCHEMBL8606595 0.74 THRA (0.50) RARBTP53TSHRPLA2G4B
SCHEMBL6343250 0.74 RARB (0.43) RARGRARBRXRARXRBRXRG
SCHEMBL6344520 0.74 EGFR (0.43) RARGRARBRXRARXRBRXRG
SCHEMBL7713101 0.73 RARB (0.52) RARGRARBEPHX2NR1H4MAPK1

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 5 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 disclosed
EP-0832057-B1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CT INTERNAT DE (FR) 2001-01-03 EP 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
EP-0832057-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033856-A1 DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed