SCHEMBL19732883

SCHEMBL19732883

CC(C)(CC1c2ccccc2CC1(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HBB P68871 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
OPRM1 P35372 2/20 0.34
LMNA P02545 2/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL16974091 0.79 ADRB2 (0.43) SLC6A2SIGMAR1OPRM1MTNR1B
SCHEMBL12745141 0.75 SLC6A2 (0.40) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL19852061 0.70 ALDH1A1 (0.40) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL12416516 0.69 SLC6A2 (0.38) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL18241637 0.68 MAPT (0.38) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL14429883 0.66 ALOX15 (0.44) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL1745011 0.66 ALOX15 (0.44) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL700442 0.66 SIGMAR1 (0.40) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL9493694 0.65 EGFR (0.37) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL28424107 0.64 SLC6A2 (0.46) MAPTALDH1A1TSHRMAPK1KDM4E

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
EP-3099671-B1 METHOD FOR THE PRODUCTION OF 1-INDANOLES AND 1-INDANAMINES BAYER CROPSCIENCE AG (DE) 2017-12-27 EP disclosed