SCHEMBL6035520

SCHEMBL6035520

CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1CCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
SERPINE1 P05121 1/20 0.53
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ESR1 P03372 4/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50

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
SCHEMBL27533460 1.00 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL29285270 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL130709 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL5317593 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL28450761 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL25393746 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL29062899 0.97 TSHR (0.57) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL10006039 0.94 TSHR (0.56) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL9436087 0.92 TSHR (0.60) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL2584734 0.92 SERPINE1 (0.55) TSHRALDH1A1LMNAMAPK1TP53

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
EP-1636310-A1 ACRYLIC DISPERSING AGENTS IN NANOCOMPOSITES Polymers Australia PTY Limited (AU) 2006-03-22 EP disclosed
WO-2004113436-A1 ACRYLIC DISPERSING AGENTS IN NANOCOMPOSITES POLYMERS AUSTRALIA PTY. LIMITED (AU) 2004-12-29 WO disclosed