SCHEMBL1702248

SCHEMBL1702248

CC1(C)CC(OC(=O)c2ccccc2O)CC(C)(C)N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALDH1A1 P00352 4/20 0.63
LMNA P02545 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
TSHR P16473 4/20 0.47
BCHE P06276 3/20 0.43
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.39
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 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
SCHEMBL29793926 0.91 GAA (0.74) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL1556556 0.91 GAA (0.74) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL11058897 0.85 GAA (0.67) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL1311201 0.84 GAA (0.65) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL17507601 0.84 GAA (0.68) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL17507611 0.84 GAA (0.64) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL17507613 0.82 GAA (0.67) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL17507602 0.82 GAA (0.62) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL13588318 0.82 GAA (0.62) GAAALDH1A1LMNACYP3A4CYP1A2
SCHEMBL7508754 0.81 LMNA (0.61) GAAALDH1A1LMNACYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440043-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS Lanxess Deutschland GmbH (DE) 2012-04-18 EP disclosed
WO-2010142790-A1 INORGANIC CARRIER MATERIALS CONTAINING HETEROCYCLIC 3-RING COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO disclosed
US-4396735-A N-HETEROCYCLIC COMPOUND AND A HETEROCYCLIC ACID HYDRAZIDE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1983-08-02 US disclosed
US-4362831-A A HINDERED AND HETEROCYCLIC AMINE WITH A THIOALKANOIC ACID AMIDE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-12-07 US disclosed
US-4052351-A NICKEL CARBOXYLATE, PIPERIDINE DERIVATIVE PHILLIPS PETROLEUM COMPANY (US) 1977-10-04 US disclosed
US-4035323-A ULTRAVIOLET PROTECTION, PIPERIDINE AND HYDROXY-SUBSTITUTED PHENYL BENZOATE ADDITIVES PHILLIPS PETROLEUM COMPANY (US) 1977-07-12 US disclosed