SCHEMBL6749100

SCHEMBL6749100

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
LSS P48449 2/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 3/20 0.43

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
SCHEMBL10569325 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL6753110 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL3002424 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL6031279 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL2048536 1.00
SCHEMBL1848320 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL997470 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL5807045 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL1847927 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1
SCHEMBL6747194 1.00 CYP1A2 (0.59) CYP1A2EPHX1ALDH1A1HTTMEN1

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-20040043197-A1 Low dielectric constant insulating material, and electronic part FUJITSU LIMITED (JP) 2004-03-04 US disclosed