SCHEMBL7920787

SCHEMBL7920787

COCCOCOc1cc2ccc(B(O)O)cc2cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.49
RARA P10276 5/20 0.48
HIF1A Q16665 1/20 0.38
RARG P13631 4/20 0.37
RARB P10826 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR1 P21453 1/20 0.34
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
NR2E1 Q9Y466 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
SCHEMBL7689456 0.84 IKBKB (0.49) IKBKBRARARARGRARBMEN1
SCHEMBL7920782 0.83 RARA (0.37) IKBKBRARAHIF1ARARGRARB
SCHEMBL7926669 0.83 IKBKB (0.49) IKBKBRARARARGRARBMEN1
SCHEMBL9011099 0.82 IKBKB (0.46) IKBKBRARARARGRARBMEN1
SCHEMBL19755562 0.82 IKBKB (0.49) IKBKBRARARARGRARBMEN1
SCHEMBL7690770 0.82 RARA (0.54) IKBKBRARARARGRARBMEN1
SCHEMBL7920649 0.81 CNR2 (0.39) IKBKBRARAHIF1ARARGRARB
SCHEMBL8457849 0.81 RARA (0.47) IKBKBRARARARGRARBMEN1
SCHEMBL7920735 0.81 IKBKB (0.47) IKBKBRARARARGRARBMEN1
SCHEMBL1361023 0.80 IKBKB (0.63) IKBKBRARARARGRARBMEN1

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