SCHEMBL10101123

SCHEMBL10101123

COc1ccc(-c2cc(C3=C(c4cc(-c5ccc(OC)cc5)sc4OC)C(F)(F)C(F)(F)C3(F)F)c(OC)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAOA P21397 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
NPY1R P25929 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
AGTR1 P30556 1/20 0.42
CCKBR P32239 1/20 0.42
AVPR1A P37288 1/20 0.42
MC3R P41968 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC29A1 Q99808 1/20 0.42

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
SCHEMBL15926425 0.94 APP (0.40) APPKMT2AMEN1PGRADRB2
SCHEMBL10104552 0.89 APP (0.36) APPKMT2AMEN1PGRADRB2
SCHEMBL1041118 0.87 ALDH1A1 (0.37) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL10002013 0.86 APP (0.45) APPKMT2AMEN1PGRADRB2
SCHEMBL2990966 0.86 APP (0.45) APPKMT2AMEN1PGRADRB2
SCHEMBL20089651 0.82 APP (0.41) APPKMT2AMEN1PGRADRB2
SCHEMBL3361316 0.81 PLA2G10 (0.36) KMT2AMEN1IKBKBRAB9ANPC1
SCHEMBL15183075 0.81 APP (0.41) APPKMT2AMEN1PGRADRB2
SCHEMBL16011190 0.80 APP (0.40) APPKMT2AMEN1PGRADRB2
SCHEMBL3169986 0.80 ALDH1A1 (0.36) KMT2AMEN1RAB9ANPC1ALDH1A1

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-8207330-B2 Two-photon absorption material and application thereof RICOH COMPANY, LTD. (JP) 2012-06-26 US disclosed
US-8207330-B2 Two-photon absorption material and application thereof RICOH COMPANY, LTD. (JP) 2012-06-26 US disclosed
EP-2243782-A2 Two-photon absorption material and application thereof Ricoh Company, Ltd. (JP) 2010-10-27 EP disclosed
EP-2243783-A1 Bisporphyrin conjugates as two photon absorption materials Ricoh Company, Ltd. (JP) 2010-10-27 EP disclosed
EP-2159227-A1 Two-photon absorption material and application thereof Ricoh Company, Ltd. (JP) 2010-03-03 EP disclosed