SCHEMBL8944994

SCHEMBL8944994

CCCc1cc(Cc2ccccc2C2(C)CCCCC2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.34
DHFR P00374 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXRA P19793 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL8945164 0.90 HDAC4 (0.41) HDAC4DHFRCYP3A4CYP2C19
SCHEMBL8945201 0.87 SLC6A4 (0.33) HDAC4
SCHEMBL8945147 0.83 SKP2 (0.38) HDAC4CYP3A4RXRASKP2
SCHEMBL8945419 0.82 RXRA (0.37) HDAC4RXRA
SCHEMBL11806132 0.81 HDAC4 (0.41) HDAC4
SCHEMBL8468338 0.80 ALDH1A1 (0.38) HDAC4CYP3A4
SCHEMBL8945020 0.78 HDAC4 (0.38) HDAC4DHFRCYP3A4CYP2C19
SCHEMBL8766410 0.75 ALDH1A1 (0.42) CYP3A4SKP2
SCHEMBL1100722 0.74 ALDH1A1 (0.47) DHFRCYP3A4SKP2
SCHEMBL8945516 0.73 SKP2 (0.40) HDAC4RXRASKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed