SCHEMBL7130222

SCHEMBL7130222

O=C(O)[C@@]1(O)CCCCC1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 2/20 0.32
HSD11B1 P28845 2/20 0.32
TRPA1 O75762 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
SCHEMBL2832691 1.00 LMNA (0.33) LMNATSHRCYP2C19HSD11B1TRPA1
SCHEMBL6142784 1.00 LMNA (0.33) LMNATSHRCYP2C19HSD11B1TRPA1
SCHEMBL22324095 0.98 CYP2C19 (0.35) LMNATSHRCYP2C19HSD11B1
SCHEMBL22323586 0.98 CYP2C19 (0.35) LMNATSHRCYP2C19HSD11B1
SCHEMBL6143371 0.94 LMNA (0.31) LMNATSHRCYP2C19
SCHEMBL3227341 0.93 CYP1A2 (0.31)
SCHEMBL6040475 0.92 CYP2C19 (0.33) LMNATSHRCYP2C19HSD11B1
SCHEMBL3189299 0.83
SCHEMBL17818912 0.80 CYP2C19 (0.32) CYP2C19
SCHEMBL22173680 0.77 CYP2C19 (0.33) CYP2C19

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-6670168-B1 Cell comprises a modified rapamycin polyketide synthase (PKS) gene cluster with an acyltransferase (AT) domain in extender module 10 having malonyl CoA specificity. KOSAN BIOSCIENCE, INC. 2003-12-30 US disclosed