SCHEMBL9146276

SCHEMBL9146276

C=CCCCOCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
PLA2G2C Q5R387 1/20 0.47
CES2 O00748 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
LPAR3 Q9UBY5 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39

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
SCHEMBL6801780 1.00 TSHR (0.65) TSHRALDH1A1MEN1THRBHTT
SCHEMBL9145845 1.00 TSHR (0.65) TSHRALDH1A1MEN1THRBHTT
SCHEMBL9147319 0.98 TSHR (0.61) TSHRALDH1A1MEN1THRBHTT
SCHEMBL3946408 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL11330989 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL9149094 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL11336970 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL11337846 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL11333125 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT
SCHEMBL11439202 0.95 TSHR (0.73) TSHRALDH1A1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668259-A1 A method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1995-08-23 EP disclosed
US-5434302-A Method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom PARADIES H HENRICH (DE) 1995-07-18 US disclosed