SCHEMBL8845987

SCHEMBL8845987

CC1(C)CCC(C)(C)c2cc(COc3ccc(C=O)cc3OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TACR2 P21452 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP26B1 Q9NR63 3/20 0.37
CYP26A1 O43174 3/20 0.37
FDPS P14324 1/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 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
SCHEMBL8845858 0.80 L3MBTL1 (0.38) KMT2AMAPTRARARARBRARG
SCHEMBL8845998 0.80 RXRA (0.37) ALDH1A1KMT2AMAPTRARARARB
SCHEMBL8846501 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TACR2MEN1KMT2A
SCHEMBL8846009 0.77 PTPN1 (0.50) ALDH1A1SMN1; SMN2TACR2MEN1KMT2A
SCHEMBL13176911 0.77 MAOA (0.48) ALDH1A1SMN1; SMN2TACR2KMT2AMAPT
SCHEMBL10040343 0.76 RARG (0.51) RARARARBRARGRXRA
SCHEMBL1406438 0.73 HNF4A (0.32) RARARARBRARGRXRAHNF4A
SCHEMBL8888034 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8675711 0.71 PPARG (0.50) ALDH1A1SMN1; SMN2MAPTRARARARB
SCHEMBL15754285 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TACR2MEN1KMT2A

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