SCHEMBL10104552

SCHEMBL10104552

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.36
IKBKB O14920 2/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
HPGD P15428 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 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
SCHEMBL10101123 0.89 APP (0.45) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL15926425 0.83 APP (0.40) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL1041118 0.78 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AHPGDTP53
SCHEMBL2990966 0.76 APP (0.45) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL10002013 0.76 APP (0.45) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL20089651 0.73 APP (0.41) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL15183075 0.72 APP (0.41) APPIKBKBALDH1A1NPC1RAB9A
SCHEMBL3361316 0.72 PLA2G10 (0.36) IKBKBALDH1A1NPC1RAB9AHPGD
SCHEMBL14838263 0.72 TRPA1 (0.47) APPALDH1A1NPC1RAB9AHPGD
SCHEMBL21723534 0.72 APP (0.46) APPIKBKBALDH1A1NPC1RAB9A

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-8207330-B2 Two-photon absorption material and application thereof RICOH COMPANY, LTD. (JP) 2012-06-26 US disclosed