SCHEMBL8795602

SCHEMBL8795602

Oc1cc(I)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
NR2E1 Q9Y466 1/20 0.42
RARB P10826 4/20 0.40
RARA P10276 4/20 0.40
RARG P13631 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL566145 0.86 MEN1 (0.51) MEN1KMT2APOLBGAAGFER
SCHEMBL2420330 0.81 MEN1 (0.50) MEN1KMT2APOLBGAAGFER
SCHEMBL548708 0.80 MEN1 (0.73) MEN1KMT2APOLBGAAGFER
SCHEMBL6033366 0.79 MEN1 (0.47) MEN1KMT2APOLBGAAGFER
SCHEMBL11702433 0.79 CNR2 (0.51) MEN1KMT2APOLBGAAGFER
SCHEMBL548836 0.78 MEN1 (0.53) MEN1KMT2APOLBGAAGFER
SCHEMBL6032984 0.77 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL21002195 0.77 PLA2G4A (0.49) MEN1KMT2APOLBGAAGFER
SCHEMBL566564 0.77 RARB (0.60) MEN1KMT2APOLBGAAGFER
SCHEMBL548700 0.77 MEN1 (0.52) MEN1KMT2APOLBGAAGFER

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 7 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-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
CN-1099380-A Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1995-03-01 CN disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed