SCHEMBL29910296

SCHEMBL29910296

C1=Cc2c3c(c4ccccc4c2OC1)-c1ccccc1C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
CYP2B6 P20813 2/20 0.34
MAP3K9 P80192 5/20 0.33
MAP3K11 Q16584 5/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1B1 Q16678 2/20 0.32
KDR P35968 3/20 0.31
NTRK1 P04629 2/20 0.31
MAP3K10 Q02779 2/20 0.31
SQOR Q9Y6N5 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 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
SCHEMBL1063519 1.00 CA1 (0.36) CA1CA2CA4CA6BCHE
SCHEMBL29809978 1.00 CA1 (0.36) CA1CA2CA4CA6BCHE
SCHEMBL12952436 0.91 CA1 (0.32) CA1CA2CA4CA6BCHE
SCHEMBL12952435 0.90 CYP2B6 (0.33) CA1CA2CA4CA6BCHE
SCHEMBL13917695 0.89 MMP12 (0.36) CYP2B6CYP1A1CYP1A2CYP1B1DRD2
SCHEMBL12952438 0.89 CYP2B6 (0.33) CA1CA2CA4CA6BCHE
SCHEMBL1011282 0.89 CA1 (0.36) CA1CA2CA4CA6BCHE
SCHEMBL16421864 0.87 BCHE (0.36) BCHEACHECYP2B6MAP3K9MAP3K11
SCHEMBL13917696 0.84 TDP2 (0.37) ACHECYP2B6CYP1A1CYP1A2CYP1B1
SCHEMBL10041131 0.84 MEN1 (0.39) CA1CA2CA4CA6CYP2B6

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
EP-2718754-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-01-24 EP disclosed
EP-2895896-B1 A PHOTOCHROMIC ARTICLE HAVING AT LEAST PARTIALLY CROSSED POLARIZED PHOTOCHROMIC-DICHROIC AND FIXED-POLARIZED LAYERS TRANSITIONS OPTICAL INC (US) 2022-11-02 EP disclosed