SCHEMBL5877663

SCHEMBL5877663

C(OCC1CO1)C1CO1.CC(C)Cc1cc(O)cc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 7/20 0.33
TP53 P04637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HIF1A Q16665 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP3A4 P08684 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
GLA P06280 1/20 0.32
HSP90AB1 P08238 1/20 0.31
OPRM1 P35372 1/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 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
SCHEMBL5877667 0.84 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1TP53TDP1
Phloroglucinol SCHEMBL867769 0.83 TSHR (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
Isobutylbenzene SCHEMBL27481671 0.81 TDP1 (0.41) ALDH1A1TDP1GLAMEN1KMT2A
SCHEMBL27742783 0.80 ACHE (0.54) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
Orcinol SCHEMBL4458019 0.78 ALDH1A1 (0.43) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
Isobutylbenzene SCHEMBL2037525 0.78 TDP1 (0.47) TSHRSMN1; SMN2ALDH1A1TP53TDP1
SCHEMBL6442439 0.77 GABRA1 (0.48) GABRA1GABRB2CYP3A4GPR84HSP90AB1
SCHEMBL27761106 0.77 ACHE (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL3848086 0.77 GABRA1 (0.46) TSHRMAPK1SMN1; SMN2ALDH1A1TP53
While Olivetol SCHEMBL28079752 0.76 PTGS2 (0.62) SMN1; SMN2ALDH1A1TDP1CYP3A4

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-7064157-B2 Epoxy resin modified with a side chain having a reactive phosphorus-containing compound, e.g., 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide CHANG CHUN PLASTICS CO., LTD. (TW) 2006-06-20 US disclosed
US-20020032279-A1 Flame retardant resin and flame retardant composition containing the same CHANG CHUN PLASTICS CO., LTD. 2002-03-14 US disclosed