SCHEMBL14845440

SCHEMBL14845440

C=COCCCCOC(=O)C(=O)c1ccc(CO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 6/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
THRA P10827 4/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NPC1 O15118 2/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13875388 0.84 TDP1 (0.50) HTTTDP1POLBAPEX1ALDH1A1
SCHEMBL14845462 0.82 HTT (0.33) HTTTDP1POLBAPEX1PKM
SCHEMBL13875440 0.82 CES2 (0.49) HTTTDP1POLBAPEX1CYP3A4
SCHEMBL13875430 0.81 RAB9A (0.43) HTTTDP1POLBAPEX1ALDH1A1
SCHEMBL13875413 0.76 CA12 (0.48) POLBCYP3A4TSHRSMN1; SMN2PRSS1
SCHEMBL1131138 0.75 TDP1 (0.58) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL14845436 0.74 THRB (0.33) ALDH1A1TSHRTHRBTHRA
SCHEMBL15865271 0.73 TDP1 (0.56) HTTTDP1ALDH1A1CYP3A4TSHR
SCHEMBL15865003 0.72 TDP1 (0.53) TDP1ALDH1A1CYP3A4TSHRHPGD
SCHEMBL13531603 0.72 ALDH1A1 (0.49) HTTALDH1A1CYP3A4HPGDSMN1; SMN2

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
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed