SCHEMBL7568997

SCHEMBL7568997

CCC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)CC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
CYP3A4 P08684 3/20 0.66
MAPK1 P28482 2/20 0.66
TP53 P04637 1/20 0.66
ALDH1A1 P00352 8/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
HSD17B10 Q99714 2/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL3684905 0.95 TSHR (0.65) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL8817122 0.94 TSHR (0.59) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27571636 0.94 ALDH1A1 (0.75) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6401172 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6400485 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6406030 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6405721 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6399703 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6407768 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6402912 0.93 ALDH1A1 (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1

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
CN-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 暨南大学 2021-11-19 CN disclosed
EP-0794925-B1 Process for the preparation of magnesium hydroxide FLAMEMAG INTERNAT GIE (FR) 2002-09-11 EP disclosed