SCHEMBL5464973

SCHEMBL5464973

C=CC(=O)OCCCC.C=COC(=O)CC=CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.59
HPGD P15428 1/20 0.59
HCAR2 Q8TDS4 4/20 0.53
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL1283863 0.88 TSHR (0.60) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL9241997 0.88 TSHR (0.46) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL3338733 0.84 TSHR (0.69) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL10476946 0.84 TSHR (0.45) TSHRHPGDHCAR2ALDH1A1CYP3A4
SCHEMBL5911489 0.83 TSHR (0.41) TSHRHPGDHCAR2ATMALDH1A1
Maleic Acid SCHEMBL27739700 0.82 TSHR (0.81) TSHRHPGDHCAR2ATMALDH1A1
Maleic Acid SCHEMBL11815656 0.82 TSHR (0.81) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL516622 0.82 TSHR (0.66) TSHRHPGDHCAR2ATMALDH1A1
Fumaric Acid SCHEMBL10984440 0.82 TSHR (0.65) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL9469167 0.82 HCAR2 (0.54) TSHRHPGDHCAR2ATMALDH1A1

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-20070207922-A1 METHOD FOR FINISHING ABSORBENT MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2007-09-06 US disclosed
US-4113792-A ACRYLIC POLYMERS, CHLOROSULFONATED POLYETHYLENE, INITIATORS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1978-09-12 US disclosed