SCHEMBL20143063

SCHEMBL20143063

C=CC(=O)OC(CCCCCCCC)C(O)CCCCCCCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
ABCB1 P08183 1/20 0.39
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.36
GPR84 Q9NQS5 4/20 0.34
SPHK1 Q9NYA1 2/20 0.34
FFAR1 O14842 1/20 0.34
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20143064 0.95 PTPN1 (0.37) PTPN1ABCB1TSHRHPGDGPR84
SCHEMBL17358262 0.90 PTPN1 (0.47) PTPN1ABCB1TSHRHPGDGPR84
SCHEMBL17358260 0.85 PTPN1 (0.43) PTPN1ABCB1TSHRHPGDGPR84
SCHEMBL20143065 0.85 TSHR (0.33) TSHR
SCHEMBL20143062 0.85 TSHR (0.34) PTPN1ABCB1TSHRHPGD
SCHEMBL11050221 0.83 FFAR4 (0.53) PTPN1TSHRGPR84FFAR1MEN1
SCHEMBL19862647 0.83 PTPN1 (0.41) PTPN1ABCB1TSHRHPGDFFAR1
SCHEMBL11052302 0.83 FFAR4 (0.53) PTPN1TSHRGPR84FFAR1MEN1
SCHEMBL20143364 0.81 ACACB (0.31) TSHR
SCHEMBL12168157 0.81 LMNA (0.43) PTPN1ABCB1TSHRMEN1KMT2A

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-9969703-B2 Triazine-containing photocurable resin and preparation method thereof JIANGNAN UNIVERSITY (CN) 2018-05-15 US disclosed