SCHEMBL16252155

SCHEMBL16252155

CCCCC(CC)CC(CC(CC)CCCC)n1c2cc(C)ccc2c2ccc(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ RORA P35398 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ RORB Q92753 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CA2 P00918 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
SCHEMBL18947666 0.79 ALDH1A1 (0.37) KCNH2ADRA2AADORA3TLR8ALDH1A1
SCHEMBL16252156 0.79 TLR8 (0.38) KCNH2NR1I2EGFRADRA2AADORA3
SCHEMBL20051915 0.79 TLR8 (0.38) KCNH2NR1I2EGFRADRA2AADORA3
SCHEMBL15698953 0.76 LPL (0.40) —
SCHEMBL24797246 0.74 PGR (0.43) ALDH1A1PGRRORARORCRORB
SCHEMBL4522784 0.72 TSHR (0.36) PDE4DALDH1A1TDP1CYP3A4TSHR
SCHEMBL15424078 0.71 RORA (0.48) KCNH2ADRA2AADORA3TLR8ALDH1A1
SCHEMBL4534771 0.70 ALDH1A1 (0.34) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL12532597 0.70 NR1I2 (0.40) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL1784345 0.69 ALDH1A1 (0.30) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140338750-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 — — US disclosed
US-20140338750-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 — — US disclosed
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