SCHEMBL5700795

SCHEMBL5700795

C(#CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 2/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP2E1 P05181 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
SCHEMBL9303814 0.90 ALDH1A1 (0.52) FFAR1FFAR4GRM5ALDH1A1HPGD
SCHEMBL28175144 0.86 GRM5 (0.51) FFAR1FFAR4GRM5KCNH2HTR2A
SCHEMBL3888886 0.84 CALM1 (0.50) FFAR1FFAR4ALDH1A1HPGDALOX15
SCHEMBL28811665 0.83 SIGMAR1 (0.48) GRM5MAOAMAOBMIF
SCHEMBL5966248 0.81 GRM5 (0.50) GRM5KCNH2HTR2ASMN1; SMN2MAOA
SCHEMBL6738643 0.80 ALDH1A1 (0.48) FFAR1FFAR4GRM5ALDH1A1HPGD
SCHEMBL6256644 0.79 FFAR1 (0.43) FFAR1FFAR4GRM5ALDH1A1HPGD
SCHEMBL3218912 0.79 KCNH2 (0.51) FFAR1FFAR4GRM5KCNH2
SCHEMBL6722153 0.79 FFAR1 (0.41) FFAR1FFAR4ALDH1A1HPGDALOX15
SCHEMBL5249356 0.79 FFAR1 (0.66) FFAR1FFAR4GRM5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 EP claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP claimed
EP-0777478-B1 INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-07 EP claimed