SCHEMBL8846072

SCHEMBL8846072

COc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
STS P08842 1/20 0.44
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
S1PR1 P21453 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3318535 0.88 S1PR1 (0.53) CNR1CNR2STSRARARARB
SCHEMBL8845914 0.85 S1PR1 (0.40) RARARARBRARGMEN1KMT2A
SCHEMBL8846460 0.85 S1PR1 (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL566311 0.85 CNR1 (0.42) CNR1CNR2STSRARARARB
SCHEMBL18932787 0.82 RARA (0.41) CNR1CNR2STSRARARARB
SCHEMBL18932810 0.82 CNR1 (0.37) CNR1CNR2STSRARARARB
SCHEMBL979019 0.79 RARB (0.67) RARARARBRARGMEN1KMT2A
SCHEMBL29462719 0.79 RARB (0.67) RARARARBRARGMEN1KMT2A
SCHEMBL18043697 0.78 CNR2 (0.48) CNR2RARARARBRARGMEN1
SCHEMBL3309247 0.77 HDAC11 (0.43) CNR2RARARARBRARGMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed