SCHEMBL7927700

SCHEMBL7927700

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
THRB P10828 1/20 0.62
RECQL P46063 1/20 0.62
NR2E1 Q9Y466 1/20 0.62
RARB P10826 13/20 0.62
RARG P13631 13/20 0.62
RARA P10276 10/20 0.62
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
PGR P06401 1/20 0.59
HSPD1 P10809 1/20 0.59
GOT1 P17174 1/20 0.59
GLRA1 P23415 1/20 0.59
BLM P54132 1/20 0.59
HSPE1 P61604 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL7920642 1.00 MEN1 (0.62) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7927688 1.00 MEN1 (0.62) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7926556 1.00 MEN1 (0.62) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7929485 0.91 MEN1 (0.61) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7521122 0.91 MEN1 (0.61) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7929849 0.91 RARB (0.64) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7927807 0.90 MEN1 (0.60) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7517470 0.90 RARB (0.65) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7920665 0.90 MEN1 (0.62) MEN1KMT2ATHRBRECQLNR2E1
SCHEMBL7927271 0.90 RARB (0.54) 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 1 patent. 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