SCHEMBL10397303

SCHEMBL10397303

CC(C)CCc1c(C(=O)O)ccc(O)c1S(=O)(=O)c1c(O)ccc(C(=O)O)c1CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.40
BCL2L1 Q07817 6/20 0.40
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LCK P06239 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HPGD P15428 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL10397284 0.85 MCL1 (0.39) MCL1BCL2L1SELLSELPKDM4E
SCHEMBL10607191 0.83 MCL1 (0.44) MCL1SELLSELPKDM4EALDH1A1
SCHEMBL6837331 0.83 SELL (0.41) MCL1BCL2L1SELLSELPKDM4E
Water SCHEMBL10398701 0.82 MCL1 (0.43) MCL1SELLSELPKDM4EALDH1A1
SCHEMBL10398686 0.81 KAT8 (0.46) MCL1SELLSELPCSNK2A1HPGD
SCHEMBL4608098 0.81 CYP1A2 (0.41) DHODHKDM4EALDH1A1HSD17B10TAS2R14
SCHEMBL10606135 0.80 SELL (0.41) MCL1SELLSELPKDM4EALDH1A1
SCHEMBL10398667 0.79 KAT8 (0.51) MCL1BCL2L1KAT8
Water SCHEMBL10398683 0.78 ALDH1A1 (0.40) MCL1SELLSELPKDM4EALDH1A1
SCHEMBL10397928 0.78 KAT8 (0.54) MCL1BCL2L1KAT8

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
US-4965395-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-23 US disclosed
EP-0224592-B1 P-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-11-15 EP disclosed
EP-0224592-A1 p-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-06-10 EP disclosed