SCHEMBL5268575

SCHEMBL5268575

Cc1ccc(CC=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
SRC P12931 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
AMY1A P0DUB6 1/20 0.40
LMNA P02545 3/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL1759263 0.84 AMY1A (0.53) TRPA1SRCMAPTALDH1A1POLB
SCHEMBL2578360 0.80 SRC (0.40) SRCMEN1KMT2A
SCHEMBL1003895 0.80 GABRA1 (0.50) TRPA1MAPTALDH1A1POLBTP53
SCHEMBL933119 0.79 TYR (0.58) MAPTALDH1A1TP53TDP1ALOX15
SCHEMBL31176234 0.79 SRC (0.42) SRCMAPTALDH1A1TP53TDP1
SCHEMBL30513627 0.79 TYR (0.58) MAPTALDH1A1TP53TDP1ALOX15
SCHEMBL2561411 0.79 SRC (0.42) SRCMAPTALDH1A1TP53TDP1
SCHEMBL1006287 0.79 TRPA1 (0.54) TRPA1MAPTALDH1A1POLBTP53
SCHEMBL31191797 0.79 TRPA1 (0.54) TRPA1MAPTALDH1A1POLBTP53
SCHEMBL24804434 0.78 HTT (0.50) TRPA1SRCALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016125186-A1 NOVEL FLAVONE BASED EGFR INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 WO claimed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 EP disclosed
WO-2016125186-A1 NOVEL FLAVONE BASED EGFR INHIBITORS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 WO disclosed
WO-2016069757-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE INC. (US) 2016-05-06 WO disclosed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 EP disclosed
EP-1843820-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2007-10-17 EP disclosed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 WO disclosed
WO-2006083454-A1 MULTICYCLIC BIS-AMIDE MMP INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
WO-1998057925-A1 ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed
US-4258129-A IMPROVE GREEN SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1981-03-24 US disclosed
US-4211839-A SILVER HALIDE AND ORGANIC SILVER SALT PREPARED IN AN IMINO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1980-07-08 US disclosed
US-4188212-A BEZNOTRIAZOLE FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 US disclosed