SCHEMBL15958587

SCHEMBL15958587

Cc1cc(OC=O)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RXRB P28702 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXRA P19793 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL12050828 0.86 POLB (0.43) ALDH1A1KDM4ETDP1POLBNR1H4
SCHEMBL8998678 0.84 HTT (0.43) HTTALDH1A1RXRBKDM4ERXRA
SCHEMBL13680103 0.83 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1POLBAKR1C3
SCHEMBL28029961 0.81 CA12 (0.49) HTTALDH1A1KDM4E
SCHEMBL7623240 0.81 POLB (0.54) HTTALDH1A1RXRBKDM4ERXRA
SCHEMBL14182673 0.80 KDM4E (0.43) ALDH1A1KDM4ETDP1
SCHEMBL17618927 0.80 ALDH1A1 (0.57) HTTALDH1A1KDM4ETDP1POLB
SCHEMBL634335 0.79 HTT (0.65) HTTALDH1A1KDM4EPOLBAKR1C3
SCHEMBL16263288 0.79 LCK (0.44) ALDH1A1KDM4EPOLBAKR1C3AKR1C2
SCHEMBL25845502 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1POLB

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
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-9921498-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2018-03-20 US disclosed
US-20160377998-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-12-29 US disclosed
US-8808440-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed