SCHEMBL8856056

SCHEMBL8856056

COc1ccc2[nH]c(-c3ccccc3)c(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.68
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
HTR1A P08908 1/20 0.60
HTR1D P28221 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR7 P34969 1/20 0.60
HTR5A P47898 1/20 0.60
HTR6 P50406 1/20 0.60
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57

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
SCHEMBL3356338 0.90 ALOX5 (0.71) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8995241 0.88 ALOX5 (0.57) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5196023 0.88 KDM4E (0.58) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13399698 0.88 ALOX5 (0.68) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15060149 0.84 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL7897979 0.83 CYP11B2 (0.66) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4155146 0.83 TRPM8 (0.53) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4156656 0.83 MAOB (0.56) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4565516 0.82 ALOX5 (0.61) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1637807 0.82 KDM4E (0.57) ALOX5ALDH1A1HPGDKDM4EHSD17B10

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-0502733-B1 Air-activatable polymerisable compositions LOCTITE IRELAND LTD (IE) 1997-09-10 EP claimed
EP-0502733-A1 Air-activatable polymerisable compositions LOCTITE (IRELAND) Ltd. (IE) 1992-09-09 EP claimed
US-5683536-A PEROXIDE-FREE AUTOOXIDIZABLE FREE RADICAL CATALYST LOCTITE LTD. (IE) 1997-11-04 US disclosed
US-5523347-A CONTAINS PARTIALLY HYDROGENATED PYRIDINES, CONDENSATION PRODUCT OF CYCLIC KETONES AND UREAS, SCHIFF'S BASE, INDOLES, PYRROLES, IMIDAZOLES, PIPERAZINES, CARBAZOLES AND TETRAHYDROQUNOLINES AS ACTIVATOR LOCTITE (IRELAND) LIMITED (IE) 1996-06-04 US disclosed
EP-0502733-A1 Air-activatable polymerisable compositions LOCTITE (IRELAND) Ltd. (IE) 1992-09-09 EP disclosed