SCHEMBL8136281

SCHEMBL8136281

CSc1c(C(=O)O)cc(F)c2c1C(=O)CCO2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31
XDH P47989 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8122612 0.86 MEN1 (0.33) MAPTLMNAXDHKDM4EALDH1A1
SCHEMBL8128422 0.85 FABP4 (0.34) MAPTLMNAXDHPOLB
SCHEMBL8549368 0.83 ALDH1A1 (0.38) MAPTLMNAKDM4EALDH1A1
SCHEMBL8135092 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7997430 0.72 LTB4R (0.39) MAPTLMNAXDHKDM4EALDH1A1
SCHEMBL26606801 0.72 LMNA (0.46) PARP1MAPTLMNA
SCHEMBL8135015 0.70 NPSR1 (0.37) MAPTLMNAKDM4EALDH1A1
SCHEMBL6732023 0.69 BAZ2B (0.38) MAPTLMNAKDM4EALDH1A1
SCHEMBL15344152 0.69 LMNA (0.38) PARP1MAPTLMNA
SCHEMBL8871670 0.68 GAA (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed