SCHEMBL6572465

SCHEMBL6572465

COc1ccc(-c2cc3cc(OC(=O)O)ccc3o2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.57
RARB P10826 5/20 0.57
RARG P13631 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NR1I2 O75469 1/20 0.57
LMNA P02545 1/20 0.57
PGR P06401 1/20 0.57
HSPD1 P10809 1/20 0.57
GOT1 P17174 1/20 0.57
GLRA1 P23415 1/20 0.57
BLM P54132 1/20 0.57
HSPE1 P61604 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC11 Q96DB2 4/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL2911484 0.88 RARB (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL6535667 0.86 RARG (0.74) RARARARBRARGMEN1KMT2A
SCHEMBL7053289 0.81 RARB (0.55) RARARARBRARGMEN1KMT2A
SCHEMBL27636838 0.80 RARB (0.71) RARARARBRARGMEN1KMT2A
SCHEMBL8458032 0.80 RARG (0.74) RARARARBRARGMEN1KMT2A
SCHEMBL6571495 0.76 RARA (0.54) RARARARBRARGMEN1KMT2A
SCHEMBL7051506 0.76 RARG (0.78) RARARARBRARGMEN1KMT2A
SCHEMBL4005251 0.75 GAPDH (0.55) MEN1KMT2AAPPGAPDHCASP1
SCHEMBL8839170 0.74 KMT2A (0.57) RARARARBRARGMEN1KMT2A
SCHEMBL5827886 0.74 RARB (0.70) RARARARBRARGMEN1KMT2A

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
EP-0920312-B1 APOPTOSIS INDUCING ADAMANTYL DERIVATIVES AND THEIR USAGE AS ANTI-CANCER AGENTS GALDERMA RES & DEV (FR) 2004-12-08 EP claimed