SCHEMBL21754098

SCHEMBL21754098

CCC[C@@H](C)CCNCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.35
KDM1A O60341 5/20 0.32
SAT1 P21673 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
SCHEMBL7100023 1.00 TSHR (0.43) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL20629301 1.00 TSHR (0.43) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL27286241 0.92 CYP2C19 (0.45) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL5932513 0.89 TSHR (0.46) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL7031486 0.85 TSHR (0.52) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL7109086 0.85 TSHR (0.52) TSHRCYP2C19MEN1GLAKMT2A
SCHEMBL8125049 0.84 TSHR (0.42) TSHR
SCHEMBL18388567 0.84 TSHR (0.42) TSHR
SCHEMBL17919014 0.84 TSHR (0.42) TSHR
SCHEMBL13339807 0.83 TSHR (0.50) TSHRCYP2C19MEN1GLAKMT2A

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-10570134-B2 Stable formulations of 5,10-methylene-(6R)-tetrahydrofolic acid Merck & Cie (CH) 2020-02-25 US disclosed