SCHEMBL11219730

SCHEMBL11219730

COC(=O)C1(C2(C(=O)O)CCCCC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.34
CHRM3 P20309 1/20 0.33
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20210740 0.82 CYP2C19 (0.37) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL16817358 0.81 LMNA (0.47) NPSR1LMNAMAPTCYP4F2CYP4A11
SCHEMBL358029 0.81 CYP2C19 (0.46) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL10276856 0.81 CYP2C19 (0.46) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL7018595 0.81 CYP2C19 (0.46) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL3831087 0.81 CYP2C19 (0.46) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL15114619 0.78 NPSR1 (0.50) NPSR1LMNAMAPTCYP4F2CYP4A11
SCHEMBL23245204 0.78 CYP2C19 (0.42) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL11208917 0.78 CYP2C19 (0.42) NPSR1LMNAALDH1A1TSHRCYP2C19
SCHEMBL9806701 0.76 NPSR1 (0.47) NPSR1LMNAMAPTCYP4F2CYP4A11

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-4357456-A EPOXY RESINS, MODIFIED WITH FATTY AND UNSATURATED ACID SHELL OIL COMPANY (US) 1982-11-02 US disclosed