SCHEMBL4835939

SCHEMBL4835939

CC(C)(C)c1cc(C(=O)OCCCCCCCCCCOC(=O)c2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
F2R P25116 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SERPINE1 P05121 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL31390244 0.96 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29015779 0.96 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7563193 0.91 F2R (0.40) F2RTDP1LMNANPC1RAB9A
SCHEMBL28616481 0.85 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28539888 0.85 RAB9A (0.42) F2RTDP1LMNANPC1RAB9A
SCHEMBL9680007 0.82 NPC1 (0.45) F2RLMNANPC1RAB9APOLB
SCHEMBL31361790 0.81 ALOX5 (0.41) TDP1LMNANPC1RAB9A
SCHEMBL672759 0.81 ALOX5 (0.41) TDP1LMNANPC1RAB9A
SCHEMBL226646 0.81 NPC1 (0.45) F2RLMNANPC1RAB9APOLB
SCHEMBL29351738 0.81 NPC1 (0.45) F2RLMNANPC1RAB9APOLB

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-7358016-B2 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD. (JP) 2008-04-15 US disclosed
EP-1542083-B1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO LTD (JP) 2006-10-04 EP disclosed
US-20050238975-A1 Electrophotographic photoreceptor and electrophoto-graphic apparatus equipped with the same OSAKA GAS CO., LTD., (JP) 2005-10-27 US disclosed
EP-1542083-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND ELECTROPHOTO- GRAPHIC APPARATUS EQUIPPED WITH THE SAME OSAKA GAS CO., LTD. (JP) 2005-06-15 EP disclosed