SCHEMBL7426673

SCHEMBL7426673

CCCCc1ccc2c(c1)OCC(C(=O)C1COc3cc(CCCC)ccc3O1)O2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
AIMP2 Q13155 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7427958 0.80 TSHR (0.47) HPGDMAPTKMT2ATSHRTHRA
SCHEMBL7440246 0.80 HPGD (0.44) HPGDALDH1A1KMT2ATHRBMEN1
SCHEMBL7426663 0.78 TRPV1 (0.38) HPGDKMT2ATHRATHRBTRPV1
SCHEMBL7434827 0.78 HPGD (0.45) HPGDALDH1A1MAPTKMT2ATSHR
SCHEMBL9412081 0.76 HPGD (0.50) HPGDALDH1A1MAPTKMT2ATSHR
SCHEMBL7446273 0.76 HPGD (0.44) HPGDALDH1A1MAPTKMT2ATSHR
SCHEMBL7437345 0.75 RAB9A (0.50) HPGDALDH1A1MAPTRAB9A
SCHEMBL7430118 0.74 TAAR1 (0.40) HPGDKMT2ATRPV1HDAC1HDAC3
SCHEMBL1292040 0.74 ALDH1A1 (0.46) HPGDALDH1A1THRATHRBTRPV1
SCHEMBL9255724 0.73 CYP4F2 (0.54) HPGDALDH1A1MAPTKMT2ATSHR

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed