SCHEMBL3731388

SCHEMBL3731388

COc1c2ccccc2c(OC)c2c(-c3ccccc3C)c3ccccc3c(-c3ccccc3C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.41
HTT P42858 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
TACR1 P25103 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3722165 0.82 CYP1A2 (0.43) ALDH1A1MAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL3728184 0.77 KDM4E (0.45) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL7123301 0.77 CYP1A2 (0.48) ALDH1A1MAPK1KDM4ESMN1; SMN2CYP1A2
SCHEMBL5457232 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL3724951 0.75 KDM4E (0.42) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL1334760 0.75 ALDH1A1 (0.62) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL3723473 0.75 KDM4E (0.56) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL3731386 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL10653335 0.74 POLB (0.54) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB
SCHEMBL3725216 0.73 KDM4E (0.40) ALDH1A1MAPK1KDM4ESMN1; SMN2POLB

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-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed