SCHEMBL3340116

SCHEMBL3340116

CCCCCCCCCCC(CCCCCCCCCC)COC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ESR1 P03372 3/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
NR1H2 P55055 1/20 0.60
RNASEL Q05823 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 1/20 0.58
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
KDR P35968 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL3080567 1.00 TSHR (0.60) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL9249032 1.00 TSHR (0.60) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL16694074 1.00 TSHR (0.60) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL129099 0.99 ALDH1A1 (0.60) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL3341745 0.94 PRSS1 (0.67) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL2822334 0.94 PRSS1 (0.64) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL3754816 0.92 ALDH1A1 (0.66) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL2919384 0.89 ALDH1A1 (0.62) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL20586607 0.88 ALDH1A1 (0.73) TSHRESR1LMNAMAPK1CYP1A2
SCHEMBL128529 0.88 ALDH1A1 (0.73) TSHRESR1LMNAMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160507-A1 Compacted Flame-Retardant Composition CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2010-06-24 US disclosed
US-20060208239-A1 Compacted flame-retardant composition CLARIANT GMBH 2006-09-21 US disclosed
EP-1396521-A1 Low-dust powdered fire retardant composition, method for production and use thereof, and flameproof polymer moulding material Clariant GmbH (DE) 2004-03-10 EP disclosed
EP-1396523-A1 Compacted flame retardant composition Clariant GmbH (DE) 2004-03-10 EP disclosed
EP-0658602-A1 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-06-21 EP disclosed