SCHEMBL740967

SCHEMBL740967

CC(C(=O)O)c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
TYR P14679 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
MIF P14174 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
APP P05067 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL28020196 0.83 AKR1C3 (0.44) CYP2C9ALDH1A1HSD17B10ALOX15CYP3A4
SCHEMBL1815050 0.81 ALDH1A1 (0.47) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL5377400 0.80 ALDH1A1 (0.57) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL6453640 0.79 ALDH1A1 (0.44) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL28811448 0.79 CYP2C9 (0.44) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL490883 0.78 PTGS2 (0.60) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL490490 0.78 TYR (0.55) CYP2C9TYRALDH1A1CYP3A4MEN1
SCHEMBL29429345 0.78 TYR (0.55) CYP2C9TYRALDH1A1CYP3A4MEN1
SCHEMBL692694 0.77 ALOX15 (0.54) CYP2C9TYRALDH1A1HSD17B10NR1I2
SCHEMBL28187819 0.77 MMP2 (0.47) CYP2C9ALDH1A1HSD17B10LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261588-B Narrow range alcohol alkoxylates and derivatives thereof 宝洁公司 2026-05-19 CN disclosed
EP-4456900-A1 RESPIRATORY STIMULANT PARENTERAL FORMULATIONS Enalare Therapeutics Inc. (US) 2024-11-06 EP disclosed
EP-3947540-B1 METHOD FOR STABILIZING THERMOPLASTIC RECYCLATES, STABILIZED PLASTIC COMPOSITIONS, AND MOLDING COMPOUNDS AND MOLDED PARTS PRODUCED THEREFROM FRAUNHOFER GES FORSCHUNG (DE) 2023-08-16 EP disclosed
WO-2023129502-A1 RESPIRATORY STIMULANT PARENTERAL FORMULATIONS ENALARE THERAPEUTICS INC. (US) 2023-07-06 WO disclosed
CN-113845634-A Rubber composition compact, method for producing same, rubber composition for crosslinking, and tire tread 旭化成株式会社 2021-12-28 CN disclosed
EP-2430089-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2012-03-21 EP disclosed
WO-2010130752-A2 HIGH-MOLECULAR NON-POLAR BENZTRIAZOLES BASF SE (DE) 2010-11-18 WO disclosed
WO-1995022082-A1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL CIBA-GEIGY AG (CH) 1995-08-17 WO disclosed