SCHEMBL22973399

SCHEMBL22973399

C1=Cc2ccc3ccccc3c2C2C1=Cc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33
HTR2A P28223 1/20 0.33
TP53 P04637 1/20 0.32
P2RX4 Q99571 1/20 0.32
HPRT1 P00492 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
SCHEMBL20548576 0.78 P2RX4 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL28632731 0.66 ALDH1A1 (0.41) CES1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL27805683 0.66 MAPT (0.46) TP53
SCHEMBL7800624 0.64 CYP1A2 (0.30) CYP2A6TSHR
SCHEMBL5477612 0.64 KDM1A (0.44) ALDH1A1CYP2A6TSHRHSD17B10KDM1A
SCHEMBL7651339 0.62 HSD17B10 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL28892106 0.62 ALDH1A1 (0.41) CES1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12537716 0.62 ALDH1A1 (0.41) CES1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL3699469 0.62 KDM1A (0.43) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL17673046 0.62 ALDH1A1 (0.37) CES1ALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3779531-B1 PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME TOKUYAMA CORP (JP) 2024-03-20 EP disclosed
US-20210108113-A1 PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME TOKUYAMA CORPORATION (JP) 2021-04-15 US disclosed
EP-3779531-A1 PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME Tokuyama Corporation (JP) 2021-02-17 EP disclosed