SCHEMBL9505893

SCHEMBL9505893

COc1ccc(-c2c(O)c(=O)c2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.55
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
CASP1 P29466 4/20 0.50
CASP7 P55210 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
ABCB1 P08183 2/20 0.49
ABCG2 Q9UNQ0 3/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47

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
SCHEMBL29385001 0.87 KDM4E (0.55) ERN1KDM4EMAPTCASP1CASP7
SCHEMBL9589036 0.86 PTGS2 (0.42) ERN1KDM4EMAPTCASP1CASP7
SCHEMBL21942449 0.85 ALDH1A1 (0.47) ERN1KDM4EMAPTMEN1ALDH1A1
SCHEMBL9505964 0.80 ERN1 (0.51) ERN1KDM4EMAPTCYP3A4TP53
SCHEMBL3671202 0.76 HDAC4 (0.56) KDM4EMAPTCASP1CASP7MEN1
SCHEMBL27613033 0.74 APP (0.51) ERN1KDM4EMAPTCASP1CASP7
SCHEMBL8840880 0.73 PDE4A (0.67) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL8801058 0.72 PDE4A (0.50) ERN1KDM4EMAPTMEN1KMT2A
SCHEMBL12766821 0.71 ERN1 (1.00) ERN1
SCHEMBL21296989 0.71 ESR2 (0.56) ERN1KDM4EMEN1KMT2ACYP3A4

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-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
US-5004661-A Photoconductive member having symmetrical and unsymmetrical squaraine compositions XEROX CORPORATION (US) 1991-04-02 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