SCHEMBL9360372

SCHEMBL9360372

CC(C)C1=CC(=O)C2=C(CCC3C2(C)CCC(O)C3(C)CO)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 6/20 0.44
▸ TRPV3 Q8NET8 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ KARS1 Q15046 2/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32

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
SCHEMBL30090652 0.82 KARS1 (0.34) CYP3A4KARS1EP300HIF1AEPAS1
SCHEMBL9359538 0.82 KARS1 (0.34) CYP3A4KARS1EP300HIF1AEPAS1
SCHEMBL8855131 0.82 KARS1 (0.51) POLA1TDP1TP53CYP3A4KARS1
SCHEMBL8855191 0.77 KARS1 (0.53) POLA1TP53CYP3A4KARS1LMNA
SCHEMBL29552794 0.77 HIF1A (0.35) TP53NR1H4MEN1KMT2AEP300
SCHEMBL15732245 0.77 EP300 (0.46) TP53CYP3A4MEN1KMT2AEP300
SCHEMBL9363876 0.74 KARS1 (0.38) CYP3A4KARS1LMNAEP300
SCHEMBL9359973 0.74 CYP3A4 (0.50) TP53CYP3A4KARS1LMNAMEN1
SCHEMBL8855376 0.69 SRD5A2 (0.35) CYP3A4KARS1LMNAEP300HIF1A
SCHEMBL29552971 0.69 SRD5A2 (0.35) CYP3A4KARS1LMNAEP300HIF1A

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-0472733-B1 PHENANTHRENE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1994-12-28 — — EP disclosed
US-5192817-A Interleukin-1 inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-09 — — US disclosed
EP-0472733-A1 PHENANTHRENE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 — — EP disclosed
Send feedback