SCHEMBL2456629

SCHEMBL2456629

CCOC(=C(OCC)c1cccs1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.48
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CASP7 P55210 1/20 0.46
BAP1 Q92560 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45

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
SCHEMBL2456624 1.00 HPGD (0.48) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL422787 0.80 RAB9A (0.62) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL1545361 0.80 ALDH1A1 (0.46) HPGDALDH1A1KDM4ETSHRRAB9A
Methane SCHEMBL6835154 0.79 RAB9A (0.60) HPGDALDH1A1KDM4ETSHRRAB9A
Hydrochloric Acid SCHEMBL6378258 0.79 ALDH1A1 (0.44) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL18734638 0.77 RAB9A (0.50) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL1128796 0.77 CES2 (0.59) HPGDALDH1A1KDM4ETSHRRAB9A
Ethyl Acetate SCHEMBL27923714 0.76 ALDH1A1 (0.52) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL3362659 0.76 ALDH1A1 (0.46) HPGDALDH1A1KDM4ETSHRRAB9A
SCHEMBL27945491 0.76 RAB9A (0.57) HPGDALDH1A1KDM4ETSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598305-B2 Conjugated polymers and devices incorporating same NORTHWESTERN UNIVERSITY (US) 2013-12-03 US disclosed
EP-2550687-A1 CONJUGATED POLYMERS AND DEVICES INCORPORATING SAME Polyera Corporation (US) 2013-01-30 EP disclosed
WO-2011119374-A1 CONJUGATED POLYMERS AND DEVICES INCORPORATING SAME POLYERA CORPORATION (US) 2011-09-29 WO disclosed
US-20110232764-A1 Conjugated Polymers and Devices Incorporating Same FLEXTERRA, INC. 2011-09-29 US disclosed