SCHEMBL6414801

SCHEMBL6414801

CCC[C]1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
BCHE P06276 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
CES2 O00748 1/20 0.35
APAF1 O14727 1/20 0.35
TERT O14746 1/20 0.35
NPC1 O15118 1/20 0.35
PLIN1 O60240 1/20 0.35
TDP2 O95551 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL27638217 0.97 ALDH1A1 (0.35) ALDH1A1KDM4EGAAHPGDLMNA
SCHEMBL3921016 0.84 BCHE (0.39) ALDH1A1MAPTBCHEHTTNPC1
SCHEMBL27619060 0.82 BCHE (0.38) ALDH1A1MAPTBCHEHTTNPC1
SCHEMBL8600235 0.80 PTPN1 (0.49) ALDH1A1KDM4ELMNAPTPN1TP53
SCHEMBL2862454 0.80 KDM4E (0.32) ALDH1A1KDM4EGAAHPGDPTPN1
SCHEMBL3920125 0.77 TP53 (0.43) ALDH1A1KDM4ELMNAMAPTMEN1
Propane SCHEMBL9015822 0.75 MEN1 (0.47) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL6704515 0.72 PPARA (0.41) ALDH1A1KDM4EGAAHPGDPDK2
SCHEMBL2872377 0.71 CNR1 (0.35) LMNAMEN1KMT2APTPN1TP53
SCHEMBL7933610 0.70 CNR1 (0.57) ALDH1A1LMNAMAPTMAPK1NPC1

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-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed