SCHEMBL9505964

SCHEMBL9505964

COc1cc(-c2c(O)c(=O)c2=O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
ABCB1 P08183 1/20 0.47
POLB P06746 2/20 0.46

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
SCHEMBL9505893 0.80 ERN1 (0.55) ERN1MAPTCYP3A4TUBB4ATUBB
SCHEMBL17666196 0.76 ERN1 (0.67) ERN1MAPTCYP3A4POLBALDH1A1
SCHEMBL9589036 0.74 PTGS2 (0.42) ERN1MAPTCYP3A4POLBTP53
SCHEMBL21942449 0.73 ALDH1A1 (0.47) ERN1MAPTABCB1ALDH1A1KDM4E
SCHEMBL721861 0.72 ACHE (0.65) ERN1MAPTCYP3A4POLBALDH1A1
SCHEMBL10437519 0.70 HDAC4 (0.49) MAPTCYP3A4TP53ALDH1A1KDM4E
SCHEMBL3671202 0.69 HDAC4 (0.56) MAPTCYP3A4POLBTP53ALDH1A1
Antiarol SCHEMBL210578 0.68 CYP3A4 (1.00) ERN1MAPTCYP3A4TUBB4ATUBB
SCHEMBL27497325 0.68 MAPT (0.64) ERN1MAPTCYP3A4TUBB4ATUBB
SCHEMBL12766804 0.68 ERN1 (1.00) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030537-A Photoconductive unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-07-09 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