SCHEMBL11705308

SCHEMBL11705308

C=C(CCC1OCCO1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10013355 0.83 MAOA (0.41) MAOAMAOBSLC6A4SLC6A3HTT
SCHEMBL11702308 0.79 L3MBTL1 (0.44) MAOAMAOBSLC6A4SLC6A3HPGD
SCHEMBL7287661 0.78 MAPT (0.52) HPGDUSP2ALDH1A1LMNAPOLB
SCHEMBL7990104 0.75 MAOA (0.56) MAOAMAOBSLC6A4SLC6A3HPGD
SCHEMBL817735 0.74 MAOA (0.40) MAOAMAOBSLC6A4SLC6A3USP2
SCHEMBL1536703 0.73 MAOA (0.56) MAOAMAOBUSP2ALDH1A1LMNA
SCHEMBL2207700 0.71 KDM4E (0.51) HPGDALDH1A1LMNAMAPTMAPK1
SCHEMBL7984999 0.71 MAOA (0.52) MAOAMAOBSLC6A4SLC6A3USP2
SCHEMBL7986401 0.71 MAOA (0.52) MAOAMAOBSLC6A4SLC6A3USP2
SCHEMBL818715 0.70 GBA1 (0.47) MAOAMAOBSLC6A4LMNA

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
US-4036886-A FROM A PHENYL ALKENYL BROMIDE AND LITHIUM SALT OF A SCHIFF BASE OF ACETALDEHYDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-07-19 US disclosed
US-4031140-A FLAVORS, ODORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US disclosed