SCHEMBL20901416

SCHEMBL20901416

C=COCCCCOC(=O)c1cc(C(=O)OCCCCOC=C)cc(C(=O)OCCCCOCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SERPINE1 P05121 1/20 0.41
CNR2 P34972 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL276086 0.89 SERPINE1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13219995 0.88 SERPINE1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12938315 0.88 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12938314 0.86 SERPINE1 (0.55) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21338359 0.84 SERPINE1 (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL218011 0.80 TDP1 (0.56) SERPINE1TDP1NPC1RAB9ALMNA
SCHEMBL13849510 0.79 ESR1 (0.42) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1131138 0.79 TDP1 (0.58) ESR1TDP1NPC1MAPTRAB9A
SCHEMBL276085 0.79 SERPINE1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12879054 0.79 TDP1 (0.54) SERPINE1TDP1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399169-B1 ACID-SENSITIVE, DEVELOPER-SOLUBLE BOTTOM ANTI-REFLECTIVE COATINGS BREWER SCIENCE INC (US) 2019-04-17 EP disclosed