SCHEMBL496030

SCHEMBL496030

O=C(OCCCCCCCCCl)C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NOS2 P35228 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11754448 0.94 HPGD (0.40) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL4633628 0.84 RAB9A (0.49) ALDH1A1HSD17B10RAB9AHPGDTSHR
SCHEMBL5935761 0.84 RAB9A (0.49) ALDH1A1HSD17B10RAB9AHPGDTSHR
SCHEMBL7257142 0.81 RAB9A (0.54) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL17361195 0.81 RAB9A (0.54) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL17361189 0.81 RAB9A (0.54) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL22480301 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL17361182 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL9484981 0.77 NOS2 (0.41) ALDH1A1HSD17B10RAB9AHPGDNPSR1
SCHEMBL17361180 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10RAB9AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed