SCHEMBL6447799

SCHEMBL6447799

CCCCC(CCC)c1cc(O)c(C(CCC)CCCC)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRB2 P07550 4/20 0.33
TYR P14679 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.32
PTGS2 P35354 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
SCHEMBL9500848 0.82 KMT2A (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11038944 0.79 TYR (0.46) HTTNPSR1ESR1ESR2TP53
SCHEMBL30628000 0.79 TSHR (0.50) HTTESR1ESR2CYSLTR2CYSLTR1
SCHEMBL177521 0.79 TSHR (0.50) HTTESR1ESR2CYSLTR2CYSLTR1
SCHEMBL28530459 0.78 TYR (0.44) HTTESR1ESR2TP53ALOX15
SCHEMBL5422365 0.77 TSHR (0.48) HTTESR1ESR2CYSLTR2CYSLTR1
SCHEMBL10707896 0.77 CYSLTR2 (0.36) ESR1ESR2ADRB2TYRCYSLTR2
SCHEMBL7755498 0.77 PDE5A (0.42) HTTNPC1MAPK1RAB9ANPSR1
SCHEMBL2947212 0.76 BCHE (0.41) HTTHPGDESR1ESR2ALOX15
SCHEMBL11036500 0.76 TYR (0.45) HTTESR1TP53ALOX15CYP2C9

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
US-20050214529-A1 Acrylic block copolymer and uses thereof NIPPON SHOKUBAI CO., LTD. 2005-09-29 US disclosed
EP-1580202-A1 Acrylic block copolymer and uses thereof Nippon Shokubai Co., Ltd. (JP) 2005-09-28 EP disclosed