SCHEMBL9403089

SCHEMBL9403089

CCC(C)OC(=O)C1(N)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 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
SCHEMBL15463099 0.91 CA12 (0.34) APOBEC3AAPOBEC3GMAPTTSHREPHX2
SCHEMBL28400142 0.81 APOBEC3A (0.38) APOBEC3AAPOBEC3GMAPTEPHX2
SCHEMBL17684984 0.81 TSHR (0.36) APOBEC3AAPOBEC3GTSHRCYP2C19
SCHEMBL18388319 0.80 APOBEC3A (0.37) APOBEC3AAPOBEC3GEPHX2
SCHEMBL9741736 0.80 CYP1A2 (0.39) EPHX2
Hydrochloric Acid SCHEMBL21059372 0.79 TSHR (0.34) TSHRCYP2C19
SCHEMBL21103312 0.79 TSHR (0.37) APOBEC3AAPOBEC3GTSHRCYP2C19
SCHEMBL18388287 0.78 APOBEC3A (0.38) APOBEC3AAPOBEC3GMAPTEPHX2
Hydrochloric Acid SCHEMBL21059382 0.77 TSHR (0.36) APOBEC3AAPOBEC3GTSHRCYP2C19
SCHEMBL21103647 0.75 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6049007-A None JP disclosed
JP-H0649007-A MICROBICIDAL COMPOSITION CIBA GEIGY AG 1994-02-22 JP disclosed
US-5116872-A Fungicides CIBA-GEIGY CORPORATION (US) 1992-05-26 US disclosed