SCHEMBL8722962

SCHEMBL8722962

O=Cc1ccc2ccc3ccc4ccc5cccc6c1c2c3c4c56

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
CYP1A2 P05177 3/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 2/20 0.48
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
PTPN1 P18031 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14892820 0.94 CYP1A2 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL30791316 0.94 CYP1A2 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL3745503 0.94 CYP1A2 (0.52) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL548871 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL6585950 0.82 MEN1 (0.42) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL6511734 0.82 CYP1A2 (0.40) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL21821354 0.82 CYP1A2 (0.41) ALDH1A1HSD17B10CYP1A2HPGDTHRB
Pyrene SCHEMBL20472222 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL52121 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29463321 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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
EP-0539967-B1 Sensors and methods for sensing MINNESOTA MINING & MFG (US) 1998-09-09 EP disclosed
US-5498549-A A FLUORESCENT POLYNUCLEAR COMPOUND COVALENTLY BONDED TO A POLYSILOXANE MATRIX, BLOOD GASES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-03-12 US disclosed
US-5409666-A Quantitative analysis MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-25 US disclosed
US-5296381-A Sensing elements and methods for making and using same MINNESOTA MINING & MANUFACTURING CO. (US) 1994-03-22 US disclosed
EP-0539967-A1 Sensors and methods for sensing MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-05 EP disclosed