SCHEMBL6553126

SCHEMBL6553126

BrC([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 2/20 0.38
DPP4 P27487 2/20 0.38
CYP1A2 P05177 1/20 0.38
F2 P00734 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
HTR2A P28223 1/20 0.35
CYP2D6 P10635 1/20 0.33
AKR1C3 P42330 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL7008999 0.84 IDO1 (0.47) TRPA1TSHRCYP1A2MAOB
SCHEMBL7005596 0.80 CHRM5 (0.46) ALDH1A1CYP1A2MAOBCYP2D6
SCHEMBL7366231 0.76 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRDPP4CYP1A2
SCHEMBL11331307 0.74 CES2 (0.41) CES2CES1TRPA1TSHRDPP4
SCHEMBL1176831 0.74 CES2 (0.41) CES2CES1TRPA1TSHRDPP4
SCHEMBL277408 0.74 CES2 (0.41) ALDH1A1CES2CES1TRPA1TSHR
SCHEMBL688950 0.74 CES2 (0.46) ALDH1A1CYP2A6CES2CES1TRPA1
SCHEMBL11046694 0.74 HTR2A (0.39) ALDH1A1CYP2A6TSHRMAOBLMNA
SCHEMBL9804450 0.74 ALDH1A1 (0.43) ALDH1A1CYP2A6TSHRDPP4CYP1A2
SCHEMBL3511627 0.72 DPP4 (0.48) DPP4F2LMNATAAR1HTR2A

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
EP-1016653-B1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK CO (US) 2004-02-25 EP disclosed
US-6172260-B1 Preparation of high dye-yield couplers and intermediates useful therein EASTMAN KODAK COMPANY 2001-01-09 US disclosed
US-6124503-A Processes for making and using alkylaminoarylcarbonyl compounds EASTMAN KODAK COMPANY (US) 2000-09-26 US disclosed
EP-1016653-A1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK COMPANY (US) 2000-07-05 EP disclosed