SCHEMBL7100185

SCHEMBL7100185

C=CCNCC(CC)CCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
ALDH1A1 P00352 5/20 0.67
CYP3A4 P08684 4/20 0.67
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.36
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.34
FAAH O00519 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL3262370 0.85 TSHR (0.49) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL24105275 0.83 ALDH1A1 (0.39) TSHRALDH1A1CYP3A4
SCHEMBL123557 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL23611735 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL14365914 0.81 TSHR (1.00) TSHRALDH1A1CYP3A4KDM4ETDP1
Fluoride SCHEMBL635215 0.79 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL24467442 0.79 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
Hydrochloric Acid SCHEMBL10525132 0.79 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
SCHEMBL28886973 0.79 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1
Hydrochloric Acid SCHEMBL10525129 0.79 TSHR (0.95) TSHRALDH1A1CYP3A4KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780382-B1 S-Triazine derivatives as sunscreen agents for cosmetics HOFFMANN LA ROCHE (CH) 2003-06-11 EP disclosed
US-5874576-A 4,4'-(6-(BIS(DIALKYL)AMINO)-S-TRIAZIN-2,4-DIYL)RESORCINAL; SUNSCREEN AGENTS; PHOTOSTABILITY; COSMETICS; UV A RADIATION GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1999-02-23 US disclosed
EP-0780382-A1 S-Triazine derivatives as sunscreen agents for cosmetics GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-06-25 EP disclosed
US-4892918-A TOUGHENING THERMOSETTING MATRIX RESINS BASF CORPORATION (US) 1990-01-09 US disclosed
US-4847154-A Thermosetting resin systems containing secondary amine-terminated siloxane modifiers BASF CORPORATION (US) 1989-07-11 US disclosed
EP-0312771-A1 Thermosetting resin systems containing secondary amine-terminated siloxane modifiers BASF Aktiengesellschaft (DE) 1989-04-26 EP disclosed
US-4675118-A Quaternary ammonium salts useful as fabric softeners AKZONA INCORPORATED (US) 1987-06-23 US disclosed