SCHEMBL9432188

SCHEMBL9432188

C=CCCCCCCCOS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
MMP9 P14780 1/20 0.62
ALOX15 P16050 1/20 0.62
LPAR3 Q9UBY5 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
CA2 P00918 12/20 0.42
CA9 Q16790 12/20 0.42
CA1 P00915 11/20 0.38
CA12 O43570 3/20 0.38
CA3 P07451 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38

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
SCHEMBL11176516 1.00 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL8723938 1.00 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL20495987 1.00 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL1606611 1.00 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL1606138 0.98 TSHR (0.65) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL2241904 0.93 TSHR (0.54) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL6621065 0.91 ALDH1A1 (0.61) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL11250193 0.90 LMNA (0.50) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL11250191 0.90 LMNA (0.50) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL13812658 0.89 ALDH1A1 (0.48) TSHRALDH1A1LMNAKDM4EUSP2

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-5354756-A Inhibiting second messenger pathway CELL THERAPEUTICS, INC. (US) 1994-10-11 US disclosed