SCHEMBL5599459

SCHEMBL5599459

CC1=C(C)c2c(cccc2-c2cccc3ccccc23)[CH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
DNMT1 P26358 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PTPN1 P18031 1/20 0.37
CES1 P23141 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
TYMP P19971 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7030492 0.82 DHFR (0.38) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL5689082 0.81 KDM4E (0.38) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL5691721 0.81 DNMT1 (0.39) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL8154866 0.81 MAOA (0.39) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL6237071 0.81 DHFR (0.40) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL5689656 0.81 KDM4E (0.38) DHFRDNMT1ALDH1A1CYP2A6MAOA
SCHEMBL5600529 0.77 PDCD1 (0.39) ALDH1A1CYP2A6MAOBKDM4EGAA
SCHEMBL5081775 0.76 ALDH1A1 (0.38) DHFRALDH1A1CYP2A6POLBMEN1
SCHEMBL714807 0.75 ALDH1A1 (0.42) DHFRALDH1A1CYP2A6MAOAMAOB
SCHEMBL2971768 0.73 ALDH1A1 (0.46) DHFRALDH1A1CYP2A6BRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214745-B2 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2007-05-08 US disclosed
US-20050176901-A1 Process for producing polymer DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2005-08-11 US disclosed
EP-1428840-A1 PROCESS FOR PRODUCING POLYMER DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-06-16 EP disclosed