SCHEMBL8664468

SCHEMBL8664468

C1=Cc2ccccc21.C1=Cc2ccccc21.CC1=C(O)C(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.33
P2RX1 P51575 2/20 0.33
P2RX3 P56373 2/20 0.33
P2RX7 Q99572 2/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
BCHE P06276 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN1 P18031 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL6428668 1.00 P2RX4 (0.33) P2RX4P2RX1P2RX3P2RX7MEN1
SCHEMBL112009 0.81
SCHEMBL6738847 0.81 TYR (0.39) MEN1KMT2AALDH1A1KDM4EMAPT
Orthocresol SCHEMBL6013643 0.79 HSD17B10 (0.38) MEN1POLBKMT2AALDH1A1LMNA
Pyrazine SCHEMBL7593109 0.74 TYR (0.31)
SCHEMBL6017891 0.72 CES2 (0.42) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL8089087 0.71 MAPK1 (0.36) POLBALDH1A1LMNAKDM4EMAPT
Propionic Acid SCHEMBL28491340 0.68 FFAR3 (0.42) ALDH1A1
SCHEMBL441607 0.68
SCHEMBL21380433 0.66 AKT1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5711987-A Electronic coatings DOW CORNING CORPORATION (US) 1998-01-27 US disclosed
US-5455876-A High-speed external integrated optical modulator GENERAL MICROWAVE ISRAEL CORPORATION (IL) 1995-10-03 US disclosed