SCHEMBL6758593

SCHEMBL6758593

CC(C)C(OC(c1ccccc1)(C(C)C)C(C)C)(c1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
KCNN4 O15554 5/20 0.38
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
RIPK1 Q13546 1/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2D O15399 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34

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
SCHEMBL27314902 0.85 MAPK1 (0.48) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL704037 0.81 CYP2D6 (0.39) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL1147242 0.81 ALDH1A1 (0.52) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL18544226 0.78 CYP2D6 (0.41) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL9172757 0.74 TSHR (0.41) MAPK1ALDH1A1TSHRTAAR1
SCHEMBL28516083 0.74 MAPK1 (0.46) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL703697 0.73 RIPK1 (0.35) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL27544995 0.73 CYP2D6 (0.38) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15
SCHEMBL28056963 0.73 PTPN1 (0.42) CYP2D6CYP1A2ALDH1A1ALOX15KCNN4
SCHEMBL11741048 0.71 CYP2C19 (0.42) MAPK1CYP2D6CYP1A2ALDH1A1ALOX15

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
US-6828070-B2 Heat sensitive element FUJI PHOTO FILM CO., LTD. (JP) 2004-12-07 US disclosed
EP-1109551-A4 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECH INC (US) 2004-10-20 EP disclosed
US-20020015903-A1 Photosensitive material comprising reversibly decolorable colored layer and image-forming method using same FUJI PHOTO FILM CO., LTD. 2002-02-07 US disclosed
EP-1109551-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES Competitive Technologies, Inc. (US) 2001-06-27 EP disclosed
WO-2000010564-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECHNOLOGIES, INC. (US) 2000-03-02 WO disclosed