SCHEMBL21906582

SCHEMBL21906582

C=C(I)c1cccc(C)c1/C=C\C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 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
SCHEMBL27368614 0.79 CXCR5 (0.41) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3305207 0.76 CXCR5 (0.53) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8230426 0.76 CXCR5 (0.50) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19430436 0.76 CXCR5 (0.44) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3305210 0.76 CXCR5 (0.53) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL674402 0.76 CYP2A6 (0.41) CXCR5ALDH1A1
SCHEMBL458856 0.76 CYP2A6 (0.41) CXCR5ALDH1A1
SCHEMBL20117329 0.76 CYP2A6 (0.41) CXCR5ALDH1A1
SCHEMBL18131925 0.75 CXCR5 (0.49) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10767153 0.71 TRPA1 (0.48) CXCR5ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220059775-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2022-02-24 — — US disclosed
US-20200111962-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 — — US disclosed
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