SCHEMBL11628385

SCHEMBL11628385

CCn1cc(C)c2cc(C=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.50
CYP2A6 P11509 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ALDH1A3 P47895 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL23242341 0.78 CYP2A6 (0.50) PTGER4CYP2A6GAAALDH1A1ALDH1A3
SCHEMBL11075326 0.78 CACNB4 (0.39) GAAALDH1A1LMNAHTR6KDM4E
SCHEMBL29200982 0.75 KDM4E (0.47) GAAALDH1A1LMNAHTR6KDM4E
SCHEMBL16727205 0.75 PTGER4 (0.43) PTGER4ALDH1A1LMNAKDM4EHPGD
SCHEMBL24824798 0.75 CYP19A1 (0.44) GAAALDH1A1HTR6KDM4EMAPT
SCHEMBL4832600 0.74 PTGER4 (0.81) PTGER4CYP2A6ALDH1A1LMNAKDM4E
SCHEMBL29794143 0.74 PTGER4 (0.81) PTGER4CYP2A6ALDH1A1LMNAKDM4E
SCHEMBL16729368 0.72 PDE4A (0.46) HTR6MAP3K5
SCHEMBL13699783 0.72 GAA (0.54) GAAALDH1A1LMNAKDM4EMEN1
SCHEMBL15774538 0.71 PTGER4 (0.70) PTGER4CYP2A6ALDH1A1LMNAKDM4E

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
US-4072519-A Photoconductive composition, and element XEROX CORPORATION (US) 1978-02-07 US disclosed