SCHEMBL9442467

SCHEMBL9442467

C=CCOC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TLR4 O00206 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL9442457 1.00 ALDH1A1 (0.39) ALDH1A1TLR4MEN1POLBKMT2A
SCHEMBL9406418 1.00 ALDH1A1 (0.39) ALDH1A1TLR4MEN1POLBKMT2A
SCHEMBL9406415 1.00 ALDH1A1 (0.39) ALDH1A1TLR4MEN1POLBKMT2A
SCHEMBL9646600 0.93 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9646594 0.93 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9646607 0.93 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9442475 0.90 CYP1A2 (0.40) ALDH1A1POLB
SCHEMBL9442465 0.90 CYP1A2 (0.40) ALDH1A1POLB
SCHEMBL9406612 0.90 CYP1A2 (0.40) ALDH1A1POLB
SCHEMBL9406617 0.90 CYP1A2 (0.40) ALDH1A1POLB

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-5180519-A Compounds for liquid crystal displays CHISSO CORPORATION (JP) 1993-01-19 US disclosed
US-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed
EP-0388150-A1 Alkenyl ether derivatives and liquid crystal composition containing the same Chisso Corporation (JP) 1990-09-19 EP disclosed