SCHEMBL20143369

SCHEMBL20143369

C=COC(CCCC)C(O)C(OC=C)C(O)C(OC(=O)C=C)C(O)CCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ABCB1 P08183 1/20 0.35
PTPN1 P18031 1/20 0.34
HPGD P15428 1/20 0.33
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL19862646 0.81 TSHR (0.35) TSHRABCB1PTPN1HPGDFFAR1
SCHEMBL20143062 0.80 TSHR (0.34) TSHRABCB1PTPN1HPGD
SCHEMBL17358262 0.77 PTPN1 (0.47) TSHRABCB1PTPN1HPGDTHRB
SCHEMBL17358260 0.72 PTPN1 (0.43) TSHRABCB1PTPN1HPGDTHRB
SCHEMBL28195499 0.71 TSHR (0.43) TSHRABCB1HPGDGPR84FFAR1
SCHEMBL28391986 0.71 TSHR (0.43) TSHRABCB1HPGDGPR84FFAR1
SCHEMBL11032303 0.70 TSHR (0.51) TSHRHPGDTHRBTHRAGPR84
SCHEMBL19862647 0.70 PTPN1 (0.41) TSHRABCB1PTPN1HPGDFFAR1
SCHEMBL11050221 0.70 FFAR4 (0.53) TSHRPTPN1GPR84FFAR1
SCHEMBL11052302 0.70 FFAR4 (0.53) TSHRPTPN1GPR84FFAR1

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