SCHEMBL8565291

SCHEMBL8565291

CC(C)(C)OC(=O)c1ccc(CCC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 4/20 0.40
PRSS1 P07477 8/20 0.39
TMPRSS15 P98073 8/20 0.39
FFAR1 O14842 3/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2179325 0.89 RXFP1 (0.66) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL6016159 0.83 HDAC3 (0.43) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL8570240 0.82 HPGD (0.43) LMNAALDH1A1PRNPRECQLRXFP1
Hydrochloric Acid SCHEMBL2413233 0.82 HPGD (0.40) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL26244529 0.81 HPGD (0.47) LMNAALDH1A1POLBHPGDTSHR
SCHEMBL8564545 0.81 HPGD (0.45) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL5048129 0.81 ALDH1A1 (0.39) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL5050275 0.81 HPGD (0.42) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL21199747 0.81 POLB (0.46) LMNAALDH1A1PRNPRECQLRXFP1
SCHEMBL8982459 0.81 HPGD (0.45) LMNAALDH1A1PRNPRECQLRXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 EP disclosed
US-5688800-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1997-11-18 US disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed