SCHEMBL9666642

SCHEMBL9666642

Oc1cc2cnncc2cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
EGFR P00533 4/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
APP P05067 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 2/20 0.31
STAT3 P40763 1/20 0.31
CA12 O43570 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
AKR1B1 P15121 1/20 0.31
ALOX15 P16050 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 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
Bromide SCHEMBL9548958 0.97 ALDH1A1 (0.42) ALDH1A1EGFRPDGFRBPDGFRAAPP
SCHEMBL22045619 0.78 ALDH1A1 (0.53) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL24924722 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL25065376 0.75 ESR1 (0.38) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL24253514 0.75 LMNA (0.44) ALDH1A1LMNA
SCHEMBL17885779 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL13156541 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL13156493 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL31255814 0.73 LCK (0.43) ALDH1A1EGFRAPPKDM4EGAA
SCHEMBL337114 0.73 LCK (0.43) ALDH1A1EGFRAPPKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-5126336-A ANTIBIOTIC C-3 CATECHOL-SUBSTITUTED CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHOD OF USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1992-06-30 US disclosed
EP-0474049-A1 Antibiotic C-3 catechol-substituted cephalosporin compounds, compositions and use thereof Bristol-Myers Squibb Company (US) 1992-03-11 EP disclosed