SCHEMBL9681617

SCHEMBL9681617

COc1ccc(C(=O)C(C)(C)N2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 7/20 0.54
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.50
ALOX5 P09917 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9681651 0.98 HPGD (0.58) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL18883172 0.90 ALDH1A1 (0.50) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11263701 0.89 ALDH1A1 (0.47) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11261018 0.88 HPGD (0.54) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL9681715 0.86 NPSR1 (0.54) HPGDALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10384362 0.84 HTR3E (0.49) HPGDALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL275396 0.84 ALDH1A1 (0.65) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL9680992 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL10943847 0.83 ALDH1A1 (0.50) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL10944065 0.83 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367287-B2 Electrophotographic photoconductor, method of producing the same and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2013-02-05 US disclosed
US-8367287-B2 Electrophotographic photoconductor, method of producing the same and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2013-02-05 US disclosed
US-20070160921-A1 Electrophotographic photoconductor, method of producing the same and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2007-07-12 US disclosed
US-20070160921-A1 Electrophotographic photoconductor, method of producing the same and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2007-07-12 US disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed