SCHEMBL4904098

SCHEMBL4904098

CCCCCOC(=O)c1ccccc1NC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.73
MAPK1 P28482 3/20 0.73
CYP3A4 P08684 2/20 0.73
TP53 P04637 1/20 0.73
ALDH1A1 P00352 7/20 0.71
LMNA P02545 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 1/20 0.63
POLB P06746 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ATM Q13315 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
KDM4A O75164 1/20 0.48

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
SCHEMBL11690383 0.98 ALDH1A1 (0.74) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL8541161 0.89 ALDH1A1 (0.71) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL10722536 0.87 ALDH1A1 (0.70) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL57859 0.85 TSHR (1.00) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL29351843 0.85 TSHR (1.00) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL15215293 0.85 TSHR (0.69) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL7647082 0.84 ALDH1A1 (0.70) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL8123582 0.84 TSHR (0.68) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL2472738 0.84 ALDH1A1 (1.00) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL81945 0.84 ALDH1A1 (1.00) TSHRMAPK1CYP3A4TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
CN-107847455-A Soft capsule is by film composition 富士胶囊股份有限公司 2018-03-27 CN disclosed
CN-107106570-A Aqueous composition 兴和株式会社 2017-08-29 CN disclosed
CN-107106507-A Soft capsule envelope 富士胶囊有限公司 2017-08-29 CN disclosed