SCHEMBL19444466

SCHEMBL19444466

O=C(O)C(O)c1cc(C(C(=O)O)c2cc(C(O)C(=O)O)c(O)cc2O)c(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ USP2 O75604 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL19433129 1.00 BLM (0.36) BLMNPSR1TSHRLMNAMAPK1
SCHEMBL19433131 0.91 LMNA (0.41) BLMNPSR1TSHRLMNAMAPK1
SCHEMBL19433125 0.88 TYR (0.39) BLMNPSR1TSHRKMT2ACYP3A4
SCHEMBL19433106 0.88 TYR (0.39) BLMNPSR1TSHRKMT2ACYP3A4
SCHEMBL19444468 0.82 BLM (0.35) BLMNPSR1TSHRLMNAMAPK1
SCHEMBL19444291 0.76 TYR (0.44) TSHRUSP2KMT2ACYP3A4MEN1
SCHEMBL12669642 0.75 BLM (0.47) BLMNPSR1TSHRLMNAMAPK1
SCHEMBL28166976 0.73 AKR1B1 (0.41) BLMNPSR1TSHRLMNAUSP2
SCHEMBL9988674 0.71 TYR (0.47) BLMNPSR1TSHRLMNAMAPK1
SCHEMBL7458752 0.71 TYR (0.47) BLMNPSR1TSHRLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228301-A1 HAIR SHAPING AGENT Kao Corporation (JP) 2017-10-11 — — EP disclosed
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