SCHEMBL9347635

SCHEMBL9347635

COCCOCOCc1cc(C(C)(C)O)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.33
PPARG P37231 1/20 0.32
SLC5A1 P13866 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAP3K5 Q99683 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
P2RX4 Q99571 1/20 0.30
SLC5A2 P31639 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
SCHEMBL9347008 0.87 BCL2 (0.32) BCL2PPARGSLC5A1
SCHEMBL9347578 0.79 PPARG (0.34) PPARGUSP2LMNACYP3A4HSD17B10
SCHEMBL1767659 0.77 HPGD (0.43) HPGDLMNA
SCHEMBL9343529 0.77 PTPN2 (0.42) LMNACYP3A4
SCHEMBL9342887 0.74 EPHX2 (0.36) EPHX2NR1H4USP2CYP3A4P2RX4
SCHEMBL9344500 0.73 PTPN2 (0.44)
SCHEMBL9346997 0.71 EPHX2 (0.39) EPHX2NR1H4USP2CYP3A4P2RX4
SCHEMBL17805402 0.71 ESR1 (0.47) BCL2EPHX2NR1H4P2RX4
SCHEMBL9342814 0.69 ALDH1A1 (0.37) HPGDCYP3A4
SCHEMBL9343525 0.68 ESR1 (0.30)

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-0328643-B1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO CORP (JP) 1994-07-06 EP disclosed
US-5043142-A Measuring peroxide-active substances TERUMO KABUSHIKI KAISHA (JP) 1991-08-27 US disclosed
EP-0328643-A1 (alpha)-HYDROPEROXYISOPROPYLPHENYL COMPOUNDS AND PROCESS FOR THEIR PREPARATION TERUMO KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed