SCHEMBL9720262

SCHEMBL9720262

CCCCCCCCCCCCCCCCC(COC(CC)OCCOCCOS(C)(=O)=O)OCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
DNM1 Q05193 1/20 0.36
TLR2 O60603 5/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 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
SCHEMBL9720236 0.87 CES2 (0.38) TLR2KDM4EUSP2ALDH1A1LMNA
SCHEMBL9720217 0.83 MEN1 (0.51) LPAR1LPAR3DNM1TLR2USP2
SCHEMBL7135483 0.79 TSHR (0.45) LPAR1LPAR3DNM1TLR2KDM4E
SCHEMBL7135487 0.79 TSHR (0.45) LPAR1LPAR3DNM1TLR2KDM4E
Hydrochloric Acid SCHEMBL10557205 0.77 PRKD3 (0.45) LPAR1LPAR3DNM1ALDH1A1LMNA
SCHEMBL25299196 0.76 ALDH1A1 (0.44) LPAR1LPAR3TLR2ALDH1A1LMNA
SCHEMBL25405618 0.76 ALDH1A1 (0.44) LPAR1LPAR3TLR2ALDH1A1LMNA
SCHEMBL18720002 0.76 TSHR (0.45) LPAR1LPAR3DNM1KDM4EUSP2
SCHEMBL10552379 0.76 PRKD3 (0.42) LPAR1LPAR3KDM4EUSP2ALDH1A1
SCHEMBL20895660 0.75 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed