SCHEMBL10716830

SCHEMBL10716830

C=CC(=O)OC1CCCCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
EPHX1 P07099 2/20 0.35
CYP19A1 P11511 2/20 0.33
NAAA Q02083 2/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL1491280 0.92 TSHR (0.35) TSHREPHX1CYP19A1NAAACYP2C19
SCHEMBL280547 0.92 EPHX2 (0.32) TSHR
SCHEMBL10716820 0.90 EPHX1 (0.41) TSHREPHX1CYP19A1NAAACYP2C19
SCHEMBL63032 0.88 EPHX1 (0.42) TSHREPHX1CYP19A1NAAACYP2C19
SCHEMBL29391721 0.88 EPHX1 (0.42) TSHREPHX1CYP19A1NAAACYP2C19
SCHEMBL13283558 0.87
SCHEMBL437640 0.86 EPHX1 (0.45) EPHX1CYP19A1NAAACYP2C19CA12
SCHEMBL18823065 0.86 EPHX1 (0.45) EPHX1CYP19A1NAAACYP2C19CA12
Methane SCHEMBL8505298 0.86 EPHX1 (0.41) TSHREPHX1CYP19A1NAAACYP2C19
SCHEMBL439330 0.86 EPHX1 (0.45) EPHX1CYP19A1NAAACYP2C19CA12

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
JP-62048713-A None JP disclosed
JP-S6248713-A ULTRAVIOLET-CURABLE RESIN COMPOSITION SANYO KOKUSAKU PULP CO LTD 1987-03-03 JP disclosed