SCHEMBL8928083

SCHEMBL8928083

c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
BACE1 P56817 1/20 0.48
PTPN1 P18031 1/20 0.47
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL500204 0.97 ALDH1A1 (0.47) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL29289405 0.87 ALDH1A1 (0.62) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL20262955 0.87 HSD17B10 (0.62) ALDH1A1HTTLMNAMAPTNPC1
SCHEMBL21065678 0.87 ALDH1A1 (0.62) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL10052789 0.87 ALDH1A1 (0.62) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL29289407 0.87 ALDH1A1 (0.62) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL20323056 0.87 MMP3 (0.62) BACE1PTPN1HTTNPC1RAB9A
SCHEMBL25644780 0.87 CYP1A2 (0.62) ALDH1A1HTTLMNANPC1RAB9A
Water SCHEMBL10380491 0.86 BACE1 (0.50) ALDH1A1BACE1PTPN1HTTLMNA
SCHEMBL20278556 0.85 MAPT (0.39) ALDH1A1BACE1PTPN1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed
WO-1992017516-A1 PROCESS FOR CURING POLYQUINOLINE POLYMERS AND COMPOSITIONS THEREOF MAXDEM INCORPORATED (US) 1992-10-15 WO disclosed
US-5141840-A Siloxane or silsesquioxane monomer having a structure derived from the thermal cyclization of two compounds undergoing a Diels-Alder reaction; printing plates FUJI PHOTO FILM CO., LTD. (JP) 1992-08-25 US disclosed
US-4339595-A Hexa(meta-,para-carboxyphenyl)benzene compounds STANDARD OIL COMPANY (INDIANA) (US) 1982-07-13 US disclosed