SCHEMBL9801630

SCHEMBL9801630

CNCCCCCCCCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.55
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
PAOX Q6QHF9 1/20 0.34

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
SCHEMBL1057751 1.00
SCHEMBL9801057 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL7638521 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL1924117 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL9801180 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL7639464 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL7637097 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL19574718 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1
SCHEMBL1309714 1.00
SCHEMBL1056230 1.00 EPHX1 (0.55) EPHX1LMNAALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3811978-A1 SUBSTANCE HAVING AFFINITY FOR ANTIBODY, AND COMPOUND OR SALT THEREOF HAVING BIOORTHOGONAL FUNCTIONAL GROUP AJINOMOTO CO., INC. (JP) 2021-04-28 EP disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed