SCHEMBL28514853

SCHEMBL28514853

[CH2]CC1C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.43
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL11514149 1.00 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL11127659 0.82 EPHX2 (0.38) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL20312888 0.81 CXCR3 (0.48) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL4436660 0.81 CXCR3 (0.44) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL8055582 0.79 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL864247 0.79 CXCR3 (0.43) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL29186464 0.79 CXCR3 (0.40) CXCR3EPHX2ALDH1A1LMNAGAA
SCHEMBL6938983 0.78 CXCR3 (0.42) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL17222375 0.76 CXCR3 (0.44) CXCR3EPHX2ALDH1A1LMNA
SCHEMBL11603811 0.75 ALDH1A1 (0.41) CXCR3EPHX2ALDH1A1LMNAGAA

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-105936828-B Polymerizable liquid crystal composition, optically anisotropic film, polarizing plate, display element, and compound 捷恩智株式会社 2021-01-22 CN disclosed