SCHEMBL3472967

SCHEMBL3472967

COc1ccc(-c2c[c]c(C)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
NPY1R P25929 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
AGTR1 P30556 1/20 0.44
CCKBR P32239 1/20 0.44
AVPR1A P37288 1/20 0.44
MC3R P41968 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC29A1 Q99808 1/20 0.44

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
SCHEMBL27790175 0.76 ALDH1A1 (0.37) MEN1KMT2AMAOASLC6A2SLC6A3
SCHEMBL7040288 0.75 CYP2A6 (0.36) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL1181273 0.74 APP (1.00) APPMEN1KMT2APGRADRB2
SCHEMBL27676681 0.73 IKBKB (0.58) APPMEN1KMT2AALDH1A1HPGD
SCHEMBL14705443 0.73 APP (0.95) APPMEN1KMT2APGRADRB2
SCHEMBL13446070 0.73 APP (0.95) APPMEN1KMT2APGRADRB2
SCHEMBL14705615 0.71 APP (0.91) APPMEN1KMT2APGRADRB2
SCHEMBL13164261 0.69 APP (0.59) APPMEN1KMT2APGRADRB2
SCHEMBL197522 0.68 CA1 (0.79) APPCA12CA1CA2CA7
SCHEMBL6733562 0.68 CA1 (0.79) APPCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794896-B2 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2010-09-14 US disclosed
US-20090325078-A1 HOLOGRAPHIC RECORDING MEDIUM GENERAL ELECTRIC COMPANY (US) 2009-12-31 US disclosed
US-20070146835-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-06-28 US disclosed
WO-2007050354-A2 METHODS FOR MAKING HOLOGRAPHIC DATA STORAGE ARTICLES GENERAL ELECTRIC COMPANY (US) 2007-05-03 WO disclosed
US-20070097469-A1 Methods for making holographic data storage articles GENERAL ELECTRIC COMPANY (US) 2007-05-03 US disclosed