SCHEMBL8433747

SCHEMBL8433747

COC(=O)c1ccc(-c2ccc3cc4c(cc3c2)C(OS(=O)(=O)C(F)(F)F)=CCC4(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.50
RARB P10826 9/20 0.50
RARG P13631 9/20 0.50
EGFR P00533 1/20 0.36
PLAU P00749 2/20 0.36
PDK2 Q15119 5/20 0.35
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL6292935 0.83 PDK2 (0.45) RARARARBRARGPDK2
SCHEMBL6810766 0.80 RARA (0.38) RARARARBRARGPDK2MEN1
SCHEMBL6810768 0.79 RARA (0.49) RARARARBRARGEGFRPDK2
SCHEMBL6810772 0.79 RARA (0.49) RARARARBRARGEGFRPDK2
SCHEMBL8331635 0.79 PDK2 (0.46) RARARARBRARGPDK2
SCHEMBL15912453 0.77 PLAU (0.52) EGFRPLAUCA12CA1CA2
SCHEMBL17276192 0.77 PDK2 (0.33) RARARARBRARGPDK2
SCHEMBL8705923 0.77 RARA (0.51) RARARARBRARGEGFRPLAU
SCHEMBL8437231 0.77 RARB (0.66) RARARARBRARGPLAUKMT2A
SCHEMBL8664382 0.76 RARB (0.44) RARARARBRARGPDK2

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-5945561-A ANTIINFLAMMATORY AGENT, RHEUMATIC DISORDERS, SKIN DISORDERS,ANTISCARRING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-31 US disclosed
WO-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed