SCHEMBL18697376

SCHEMBL18697376

C=CCCCCCOC(=O)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.50
LPAR2 Q9HBW0 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
SLC2A1 P11166 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
HTT P42858 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
SCHEMBL18697378 0.98 LPAR3 (0.47) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL18697346 0.91
SCHEMBL6951113 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL10991327 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL8663433 0.83 LPAR3 (0.53) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL18697362 0.82
SCHEMBL18697367 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRHCAR2
SCHEMBL18697365 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRHCAR2
SCHEMBL18697363 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRHCAR2
SCHEMBL24168387 0.81 ALDH1A1 (0.61) LPAR3LPAR2ALDH1A1CYP3A4TSHR

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
US-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
US-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
EP-3151326-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY-STORING DEVICE IN WHICH SAME IS USED Ube Industries, Ltd. (JP) 2017-04-05 EP disclosed