SCHEMBL9250868

SCHEMBL9250868

C=C(CC)C(=O)OCCCCCC.C=CC(=O)OCCCC.C=CCOC(=O)C(=C)C=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.49
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.33
NAAA Q02083 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKCA P17252 2/20 0.31
APP P05067 3/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL9247607 0.94 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL9249087 0.88 HCAR2 (0.55) HCAR2TSHRHPGDALDH1A1ATM
SCHEMBL9250525 0.85 TSHR (0.57) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL978390 0.84 TSHR (0.67) HCAR2TSHRHPGDALDH1A1CYP3A4
Acetic Acid SCHEMBL7449617 0.83 TSHR (0.61) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL7934372 0.82 TSHR (0.64) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL9857472 0.82 TSHR (0.64) HCAR2TSHRHPGDALDH1A1CYP3A4
Acrylic Acid SCHEMBL11505785 0.81 HCAR2 (0.59) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL9246482 0.81 TSHR (0.49) HCAR2TSHRHPGDALDH1A1CYP3A4
SCHEMBL5859055 0.81 TSHR (0.58) HCAR2TSHRHPGDALDH1A1CYP3A4

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-5393529-A Sustained release LTS LOHMANN THERAPIE-SYSTEME GMBH & CO. KG (DE) 1995-02-28 US disclosed