SCHEMBL1901807

SCHEMBL1901807

CC(=COCCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HCAR2 Q8TDS4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2C9 P11712 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1C3 P42330 1/20 0.43
HPGD P15428 2/20 0.41
FFAR1 O14842 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KEAP1 Q14145 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2808822 0.82 ALDH1A1 (0.53) ALDH1A1HCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL981849 0.82 ALDH1A1 (0.53) ALDH1A1HCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL6490850 0.79 HCAR2 (0.47) ALDH1A1HCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL3468376 0.78 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL5586575 0.77 KDM4E (0.48) ALDH1A1TDP1
SCHEMBL30619588 0.77 ALDH1A1 (0.40) ALDH1A1HCAR2SMN1; SMN2NPC1RAB9A
SCHEMBL21596632 0.77 ALDH1A1 (0.40) ALDH1A1HCAR2NPC1RAB9ATDP1
SCHEMBL22125389 0.77 ALDH1A1 (0.48) ALDH1A1HCAR2NPC1RAB9ATDP1
SCHEMBL9750805 0.77 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL7511849 0.77 MTNR1A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C9

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
WO-2015000470-A1 GEL FOR PRODUCING A COATING FOR A FINGER NAIL POLYSTONE-CHEMICAL GMBH (DE) 2015-01-08 WO claimed
EP-0717320-B1 Soft relief photopolymer printing plates for flexographic printing MACDERMID IMAGING TECHNOLOGY (US) 1999-09-08 EP claimed
WO-2015000470-A1 GEL FOR PRODUCING A COATING FOR A FINGER NAIL POLYSTONE-CHEMICAL GMBH (DE) 2015-01-08 WO disclosed
US-8580878-B2 Radiation-curable printing ink or printing varnish MARABU GMBH & CO. KG (DE) 2013-11-12 US disclosed
US-20110118377-A1 RADIATION-CURABLE PRINTING INK OR PRINTING VARNISH MARABU GMBH & CO. KG (DE) 2011-05-19 US disclosed