SCHEMBL10705996

SCHEMBL10705996

CC(C)(C)c1cc(C(=O)c2ccccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALOX5 P09917 1/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HSD17B14 Q9BPX1 1/20 0.51
TNFRSF1A P19438 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
LMNA P02545 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
IDH1 O75874 2/20 0.42
MAPK1 P28482 1/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL11127346 0.85 HSD17B14 (0.59) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL14594128 0.84 ALOX5 (0.59) ALOX5PTGS1PTGS2TNFRSF1AGAA
SCHEMBL9135750 0.77 PTGS2 (0.63) KMT2AALOX5PTGS1PTGS2TNFRSF1A
SCHEMBL10704231 0.77 ALOX5 (0.51) KMT2AALOX5PTGS1PTGS2TNFRSF1A
SCHEMBL28038453 0.76 KMT2A (0.51) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL28038778 0.76 KMT2A (0.66) KMT2AHSD17B14GAAALDH1A1CES2
SCHEMBL8088462 0.76 PTGS2 (0.71) ALOX5PTGS1PTGS2
SCHEMBL8495448 0.76 ALOX5 (0.65) KMT2AALOX5PTGS1PTGS2TNFRSF1A
SCHEMBL16473181 0.76 KMT2A (0.60) KMT2AHSD17B14GAAALDH1A1MEN1
SCHEMBL12775476 0.76 KMT2A (0.56) KMT2APTGS2HSD17B14ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094422-B1 SUBSTITUTED PYRIDINES RIKER LABORATORIES, INCORPORATED (US) 1988-08-03 EP claimed
US-4414217-A ANTIINFLAMMATORY RIKER LABORATORIES, INC. (US) 1983-11-08 US claimed
CN-114149311-B Method for preparing 4-hydroxybenzophenone compound by taking p-methylene quinone as substrate 上海应用技术大学 2023-11-03 CN disclosed
CN-114149311-A Method for preparing 4-hydroxybenzophenone compound by taking p-methylenequinone as substrate 上海应用技术大学 2022-03-08 CN disclosed
EP-0094422-B1 SUBSTITUTED PYRIDINES RIKER LABORATORIES, INCORPORATED (US) 1988-08-03 EP disclosed
US-4524210-A ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1985-06-18 US disclosed
EP-0094422-A1 SUBSTITUTED PYRIDINES. RIKER LABORATORIES INC (US) 1983-11-23 EP disclosed
US-4414217-A ANTIINFLAMMATORY RIKER LABORATORIES, INC. (US) 1983-11-08 US disclosed
WO-1983001775-A1 SUBSTITUTED PYRIDINES RIKER LABORATORIES INC (US) 1983-05-26 WO disclosed