SCHEMBL9363876

SCHEMBL9363876

CC(C)C1=CC(=O)C2=C(CCC3C(C)(C(=O)O)CC(O)CC23C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.38
▸ RXRA P19793 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ NR1I2 O75469 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ HSD17B10 Q99714 3/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ PDK1 Q15118 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31
▸ SLCO1B3 Q9NPD5 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ GABRA1 P14867 1/20 0.31

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
SCHEMBL8855191 0.83 KARS1 (0.53) KARS1RXRACCNE1CDK2RXRB
SCHEMBL9360372 0.74 POLA1 (0.44) KARS1LMNACYP3A4EP300
SCHEMBL8855376 0.72 SRD5A2 (0.35) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15732245 0.72 EP300 (0.46) ALOX15CYP3A4MAPTKDM4EFDPS
SCHEMBL9359538 0.70 KARS1 (0.34) KARS1ALOX15CYP3A4MAPTFDPS
SCHEMBL8855131 0.70 KARS1 (0.51) KARS1ALOX15LMNACYP3A4PDK1
SCHEMBL9359973 0.68 CYP3A4 (0.50) KARS1RXRACCNE1CDK2RXRB
SCHEMBL8855258 0.64 EP300 (0.32) EP300
SCHEMBL12260908 0.64 AR (0.54) LMNACYP3A4FDPS
SCHEMBL13201767 0.59 FDPS (0.53) HSD17B10CYP3A4MAPTCYP2C9KDM4E

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
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