SCHEMBL19646975

SCHEMBL19646975

OC1CCOc2cc(CCC3CC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.55
KDM4C Q9H3R0 1/20 0.48
HTR1A P08908 3/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A4 P31645 3/20 0.42
LTB4R Q15722 4/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
GPR84 Q9NQS5 1/20 0.35
CALM1 P0DP23 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
SCHEMBL7366724 0.80 MAP3K14 (0.59) MAP3K14HTR1ACYP2D6SLC6A4LTB4R
SCHEMBL4751498 0.80 MAP3K14 (0.59) MAP3K14KDM4CHTR1ACYP2D6SLC6A4
SCHEMBL15825637 0.80 KDM4C (0.52) MAP3K14KDM4CHTR1ASLC6A4GPR84
SCHEMBL8773430 0.73 HTR1A (0.51) MAP3K14HTR1ACYP2D6SLC6A4
SCHEMBL14183091 0.73 MAP3K14 (0.67) MAP3K14
SCHEMBL1111009 0.73 MAP3K14 (0.67) MAP3K14
SCHEMBL13614279 0.72 MAP3K14 (0.50) MAP3K14HTR1ACYP2D6SLC6A4
SCHEMBL8773445 0.72 HTR1A (0.50) MAP3K14KDM4CHTR1ACYP2D6SLC6A4
SCHEMBL3556913 0.71 MAP3K14 (0.65) MAP3K14KDM4CHTR1A
SCHEMBL22143947 0.71 MAP3K14 (0.65) MAP3K14KDM4CHTR1A

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-9828343-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-28 US disclosed