SCHEMBL6948449

SCHEMBL6948449

CC[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.45
LMNA P02545 3/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL18253224 0.82 LMNA (0.49) GRIA4LMNAMAPTNR1H4TSHR
SCHEMBL6968539 0.82 TAAR1 (0.59) GRIA4LMNASLC6A2SLC6A3NR1H4
SCHEMBL26205758 0.82 PDE2A (0.49) LMNAESR1CYP1A2PGRCHRM2
SCHEMBL23058763 0.82 PDE2A (0.49) LMNAESR1CYP1A2PGRCHRM2
SCHEMBL6948298 0.79 LMNA (0.43) GRIA4LMNAMAPTNR1H4TSHR
SCHEMBL6940717 0.79 LMNA (0.43) GRIA4LMNAMAPTNR1H4TSHR
SCHEMBL548052 0.78 GRIA4 (0.53) GRIA4LMNACYP2C9ALOX15GAA
SCHEMBL18092983 0.78 GRIA4 (0.53) GRIA4LMNACYP2C9ALOX15GAA
SCHEMBL18387217 0.78 TSHR (0.46) GRIA4LMNANR1H4TSHRTP53
SCHEMBL15435180 0.77 GRIA4 (0.42) GRIA4LMNAESR1CYP1A2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed