SCHEMBL28290538

SCHEMBL28290538

CCCCCC1(O)CCCCC1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
EPHX1 P07099 9/20 0.32
EPHX2 P34913 2/20 0.31
CCR2 P41597 1/20 0.30
NAAA Q02083 1/20 0.30
CNR1 P21554 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
SCHEMBL6443473 0.95 CYP1A2 (0.35) CYP1A2
SCHEMBL11590536 0.80
SCHEMBL8756087 0.79 EPHX1 (0.33) CYP1A2EPHX1EPHX2CCR2NAAA
SCHEMBL8114610 0.77 CYP1A2 (0.33) CYP1A2EPHX1EPHX2
SCHEMBL25277117 0.77 CYP1A2 (0.33) CYP1A2EPHX1EPHX2
SCHEMBL8063149 0.76 TDP1 (0.35) CYP1A2EPHX1EPHX2CCR2NAAA
SCHEMBL28217865 0.76 CYP1A2 (0.38) CYP1A2EPHX1EPHX2CCR2NAAA
SCHEMBL28717721 0.75 EPHX1 (0.34) CYP1A2EPHX1EPHX2NAAA
SCHEMBL5655317 0.75 EPHX1 (0.31) EPHX1EPHX2
SCHEMBL7046150 0.75 SIRT2 (0.31) EPHX1EPHX2

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
CN-109562029-A System for dispensing a cosmetic product 欧莱雅 2019-04-02 CN disclosed