SCHEMBL8846009

SCHEMBL8846009

CC1(C)CCC(C)(C)c2cc(COc3ccc(C=O)cc3-c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
RARG P13631 7/20 0.43
RARB P10826 6/20 0.43
RARA P10276 5/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RAB9A P51151 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
TACR2 P21452 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
C5AR1 P21730 1/20 0.38
ERN1 O75460 1/20 0.38
PPARG P37231 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1013671 0.83 RARG (0.59) RARGRARBRARARXRARXRB
SCHEMBL8846501 0.82 ALDH1A1 (0.46) RARGRARBRARAALDH1A1SMN1; SMN2
SCHEMBL8846206 0.82 RARG (0.47) PTPN1RARGRARBRARARXRA
SCHEMBL8845359 0.78 RXRA (0.42) RARGRARBRARARXRARXRB
SCHEMBL8845862 0.78 KMT2A (0.44) RARGRARBRARAALDH1A1RXRA
SCHEMBL8845987 0.77 ALDH1A1 (0.42) RARGRARBRARAALDH1A1SMN1; SMN2
SCHEMBL8846090 0.76 RARB (0.65) RARGRARBRARARXRARXRB
SCHEMBL8846492 0.75 RARB (0.49) RARGRARBRARARXRARXRB
SCHEMBL8846040 0.74 PTGER1 (0.64) RARGRARBRARASMN1; SMN2RXRA
SCHEMBL8845892 0.74 PTGER1 (0.56) RARGRARBRXRARXRBRXRG

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