SCHEMBL10397284

SCHEMBL10397284

CC(C)Cc1c(C(=O)O)ccc(O)c1S(=O)(=O)c1c(O)ccc(C(=O)O)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.39
BCL2L1 Q07817 6/20 0.39
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CSNK2A1 P68400 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KLKB1 P03952 1/20 0.34
CTSB P07858 1/20 0.34
MMP9 P14780 1/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34
DNMT3L Q9UJW3 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL10397303 0.85 MCL1 (0.40) MCL1BCL2L1SELLSELPCSNK2A1
SCHEMBL10606135 0.82 SELL (0.41) MCL1SELLSELPCSNK2A1ALDH1A1
SCHEMBL3430274 0.82 SELL (0.44) MCL1BCL2L1SELLSELPAKR1C2
Water SCHEMBL10398683 0.81 ALDH1A1 (0.40) MCL1SELLSELPCSNK2A1ALDH1A1
SCHEMBL39596 0.80 SELL (0.52) MCL1BCL2L1SELLSELPAKR1C2
SCHEMBL10607191 0.79 MCL1 (0.44) MCL1SELLSELPCSNK2A1ALDH1A1
SCHEMBL1950367 0.79 CYP1A2 (0.44) AKR1C2AKR1C1ALDH1A1KDM4EALOX5
SCHEMBL10398467 0.78 LMNA (0.43) ALDH1A1KDM4EHSD17B10CA1CA2
Water SCHEMBL10398701 0.78 MCL1 (0.43) MCL1SELLSELPCSNK2A1ALDH1A1
SCHEMBL10398686 0.77 KAT8 (0.46) MCL1SELLSELPAKR1C2AKR1C1

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