SCHEMBL9458469

SCHEMBL9458469

CCCC#CC1CCC2(CC1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9458476 0.81 GBA1 (0.33) GBA1
SCHEMBL7528266 0.76
SCHEMBL8990300 0.72 HAO1 (0.33)
SCHEMBL25175734 0.70 CYP1A2 (0.34) GBA1
SCHEMBL19449958 0.68 CTDSP1 (0.36) KMT2AALDH1A1
SCHEMBL3637280 0.67 GBA1 (0.31) GBA1
SCHEMBL17039191 0.67 GBA1 (0.34) GBA1
SCHEMBL3363728 0.67 GPR119 (0.38) KMT2ATSHRALDH1A1LMNAMAPK1
SCHEMBL87245 0.66 POLB (0.42) KMT2ATSHRALDH1A1LMNAMAPK1
SCHEMBL439945 0.66 CTSS (0.31)

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
US-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5013478-A Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US disclosed
US-4565425-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed