SCHEMBL7272271

SCHEMBL7272271

CN(CCCCCCn1c(=O)[nH]c2ccccc21)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.54
MPO P05164 2/20 0.54
HTR7 P34969 5/20 0.54
P2RX7 Q99572 4/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7258664 0.99 RAB9A (0.58) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL4649316 0.84 MPO (0.71) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL11138401 0.80 MAPK1 (0.63) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL9725381 0.80 RAB9A (0.71) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL11137643 0.79 MAPK1 (0.61) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL25315525 0.78 RAB9A (0.68) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL11139092 0.78 RAB9A (0.68) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL8132581 0.78 RAB9A (0.68) RAB9ALMNAALDH1A1MAPTHPGD
SCHEMBL7267279 0.78 LMNA (0.48) RAB9ALMNAALDH1A1TSHRPOLB
SCHEMBL30947438 0.78 LMNA (0.78) RAB9ALMNAALDH1A1MAPTHPGD

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-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed