SCHEMBL23920768

SCHEMBL23920768

CCN(C)c1cccc2c1oc1cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.38
▸ ELANE P08246 1/20 0.35
▸ IGLV6-57 P01721 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ PRKDC P78527 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CSF1R P07333 1/20 0.32

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
SCHEMBL24864802 0.83 ALOX5 (0.42) SIGMAR1MAPTTSHRNPSR1L3MBTL1
SCHEMBL26562004 0.79 SIGMAR1 (0.33) SIGMAR1ELANEMAPTTSHRL3MBTL1
SCHEMBL23308818 0.77 KDM4E (0.33) SIGMAR1MAPTTSHRL3MBTL1CYP1A2
SCHEMBL24502188 0.76 ALOX5 (0.41) ELANEL3MBTL1CYP1A2CYP2C19TDP1
SCHEMBL26489493 0.75 PTPN1 (0.33) MAPTTSHRL3MBTL1PRKDCCYP1A2
SCHEMBL10109871 0.73 CYP2A6 (0.45) ELANEPRKDCCYP1A2
SCHEMBL17228407 0.73 AHR (0.53) NPSR1CYP1A2
SCHEMBL25642328 0.73 AHR (0.32) MAPTTSHRL3MBTL1HTTTDP1
SCHEMBL26489495 0.73 ESR1 (0.36) TSHRL3MBTL1SLC6A4PRKDCCYP1A2
SCHEMBL18646348 0.72 KDM4E (0.39) ELANEMAPTTSHRCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 — — US disclosed
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