SCHEMBL9502394

SCHEMBL9502394

N#Cc1ccc(C2CCC(CCCCCC=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ESR2 Q92731 2/20 0.37
HSD11B1 P28845 1/20 0.35
CYP2C9 P11712 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM1A O60341 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
PANK3 Q9H999 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL9328535 0.99 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9328548 0.99 GRIA1 (0.40) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9326742 0.94 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9326749 0.94 GRIA1 (0.41) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9458397 0.91 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL9458409 0.91 HRH3 (0.39) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL2277177 0.89 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL2277181 0.89 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10628489 0.86 ESR2 (0.37) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL10514059 0.86 ESR2 (0.37) GRIA1GRIA2GRIA3USP30ESR2

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
EP-0330216-B1 A LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1993-05-12 EP disclosed
US-4880562-A Liquid crystal compound CHISSO CORPORATION (JP) 1989-11-14 US disclosed
EP-0330216-A2 A liquid crystal compound Chisso Corporation (JP) 1989-08-30 EP disclosed