SCHEMBL9509841

SCHEMBL9509841

COc1cc[c]c(-c2ccc(N(C)C)cc2OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A1 P04798 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38

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
SCHEMBL8067213 0.87 MAOB (0.40) TLR9TLR7CYP1A2CYP3A4CYP2C19
SCHEMBL9507485 0.87 SNCA (0.37) TLR9TLR7CYP1A2CYP3A4CYP2C19
SCHEMBL6189588 0.85 CYP1A1 (0.51) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9508228 0.85 SNCA (0.36) TLR9TLR7CYP1A2CYP3A4CYP2C19
SCHEMBL9509806 0.85 SNCA (0.36) TLR9TLR7CYP1A2CYP3A4CYP2C19
SCHEMBL6780746 0.81 SNCA (0.37) TLR9TLR7CYP1A2CYP3A4CYP2C19
SCHEMBL8063028 0.80 APP (0.49) TLR9CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL8528792 0.78 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL5887447 0.76 HSD17B2 (0.46) APPHSD17B1HSD17B2
SCHEMBL9507503 0.75 TUBB4A (0.40) TLR9TLR7CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4922018-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1990-05-01 US claimed
US-4886722-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1989-12-12 US claimed
EP-0396828-B1 UNSYMMETRICAL SQUARAINE COMPOSITIONS AND PHOTOCONDUCTIVE IMAGING MEMBERS USING SUCH COMPOSITIONS XEROX CORPORATION (US) 1993-08-11 EP disclosed
US-5230975-A Photoconductive imaging members with unsymmetrical alkylalkoxy squaraine compositions XEROX CORPORATION (US) 1993-07-27 US disclosed
US-5106713-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1992-04-21 US disclosed
US-5077160-A PHOTOCONDUCTIVE IMAGING MEMBERS WITH FLUORINATED SQUARAINE COMPOSITIONS XEROX CORPORATION (US) 1991-12-31 US disclosed
US-5030537-A Photoconductive unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-07-09 US disclosed
EP-0396828-A1 Unsymmetrical squaraine compositions and photoconductive imaging members using such compositions XEROX CORPORATION (US) 1990-11-14 EP disclosed
US-4922018-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1990-05-01 US disclosed
US-4886722-A Photoconductive imaging members with unsymmetrical squaraine compositions XEROX CORPORATION (US) 1989-12-12 US disclosed