SCHEMBL2774413

SCHEMBL2774413

CC(C(=Cc1ccccc1)C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
AKR1C1 Q04828 1/20 0.44
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL11298113 0.91 AKR1C3 (0.42) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28349681 0.85 KMT2A (0.50) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL525210 0.82 AKR1C3 (0.55) AKR1C3AKR1C1HTTKMT2AALDH1A1
SCHEMBL525211 0.82 AKR1C3 (0.55) AKR1C3AKR1C1HTTKMT2AALDH1A1
SCHEMBL17102367 0.81 AKR1C3 (0.48) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL11032441 0.81 HTT (0.43) AKR1C3AKR1C1HTTKMT2AALDH1A1
SCHEMBL4731168 0.79 AKR1C3 (0.47) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL225383 0.76 AKR1C3 (0.57) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7146881 0.75 AKR1C3 (0.50) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL10719619 0.75 AKR1C3 (0.50) AKR1C3HDAC3HDAC4HDAC1HDAC7

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
EP-3200890-A1 ORGANIC GEL OR LIQUID CHROMATOGRAPHY METHOD Parmentier, François (FR) 2017-08-09 EP disclosed
US-7723445-B2 Curable resin composition, molded product, and process for producing the same SHOWA HIGHPOLYMER CO., LTD. (JP) 2010-05-25 US disclosed
US-20090008834-A1 Curable resin composition, molded product, and process for producing the same SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-01-08 US disclosed
EP-1785440-A1 CURABLE RESIN COMPOSITION, SHAPED ARTICLE AND METHOD FOR PRODUCING SAME Showa Highpolymer Co., Ltd. (JP) 2007-05-16 EP disclosed
US-5395721-A Electrophotographic material for color proofing FUJI PHOTO FILM CO., LTD. (JP) 1995-03-07 US disclosed