SCHEMBL9152074

SCHEMBL9152074

CC[C@H](C)CCCOc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 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
SCHEMBL9152147 0.88 TSHR (0.38) MAOBTSHRALDH1A1MAPK1TDP1
SCHEMBL13272535 0.81 KDM4E (0.60) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL13251358 0.80 TDP1 (0.49) MAOBMAPK1TDP1SLC6A4
SCHEMBL17138131 0.80 TSHR (0.45) TSHRALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL22692744 0.80 KCNA3 (0.56) ALDH1A1TDP1
SCHEMBL255565 0.80 TSHR (0.54) MAOBTSHR
SCHEMBL30167692 0.80 TSHR (0.54) MAOBTSHR
SCHEMBL10477053 0.78 TSHR (0.62) TSHR
SCHEMBL12879358 0.78 SMN1; SMN2 (0.51) TSHRMAPK1TDP1L3MBTL1KDM4E
SCHEMBL255563 0.78 KMT2A (0.54) MAOBTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed