SCHEMBL7929994

SCHEMBL7929994

C=CCOC(=O)c1ccc(-c2ccc3cc(O)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
THRB P10828 1/20 0.67
RECQL P46063 1/20 0.67
NR2E1 Q9Y466 1/20 0.67
RARB P10826 11/20 0.53
RARG P13631 10/20 0.53
RARA P10276 8/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NR1I2 O75469 1/20 0.45

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
SCHEMBL7926577 0.83 MEN1 (0.75) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL173380 0.81 MEN1 (1.00) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL29359220 0.81 MEN1 (1.00) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL9495655 0.81 RARA (0.47) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL27353296 0.80 RARB (0.70) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7932577 0.80 RARB (0.43) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7932580 0.80 RARB (0.45) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920762 0.79 RARB (0.44) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920758 0.78 RARB (0.42) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7932584 0.77 RARB (0.53) MEN1KMT2ATHRBRECQLNR2E1

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-6225328-B1 FOR THERAPY OF DISORDERS OR AILMENTS RELATED TO AN OVERREGULATION OF RETINOIC ACID RECEPTORS AND/OR TO HYPERVIAMINOSIS A CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-05-01 US disclosed
US-5952382-A INHIBITING THE BIOLOGICAL EFFECTS OF AN OVERREGULATION OF RETINOID ACID RECEPTORS AND/OR OF A HYPERVITAMINOSIS A; TREATING SKIN DISORDER, EYE VISION DEFECTS, SKIN AGING CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-09-14 US disclosed