SCHEMBL8762989

SCHEMBL8762989

C=CC(=O)OCCCCCCCCCCC(C)CC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
ALDH1A1 P00352 4/20 0.63
CYP3A4 P08684 2/20 0.63
HPGD P15428 1/20 0.58
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
HCAR2 Q8TDS4 3/20 0.40
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACE2 Q9BYF1 1/20 0.35
NAAA Q02083 1/20 0.34
ABCB1 P08183 1/20 0.33

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
SCHEMBL8763001 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763845 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5953816 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763955 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763010 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL672959 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8763096 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8086131 0.98 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28573156 0.98 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
Trimethylammonium SCHEMBL27879354 0.94 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583962-B1 Light-sensitive composition KONISHIROKU PHOTO IND (JP) 1997-07-16 EP disclosed
US-5427887-A Blend of a diazo resin and an alkali soluble and swellable polymer KONICA CORPORATION (JP) 1995-06-27 US disclosed
EP-0583962-A2 Light-sensitive composition KONICA CORPORATION (JP) 1994-02-23 EP disclosed