SCHEMBL22223103

SCHEMBL22223103

Cc1cccc2c1-c1c(C)ccc3cccc(c13)C2(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDK2 Q15119 3/20 0.38
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 2/20 0.32
CD44 P16070 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
SCHEMBL6146099 0.69 TSHR (0.33) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL6418458 0.69 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL16800740 0.66 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL4647758 0.65 CYP1A2 (0.59) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL5950773 0.64 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL17065502 0.63 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL25164891 0.63 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL8766037 0.63 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL29353343 0.62 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL588459 0.62 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4HPGDHSD17B10

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-20200227644-A1 ORGANIC LIGHT-EMITTING DIODE OPERABLE AT LOW VOLTAGE WITH HIGH EFFICIENCY AND LONG LIFETIME SFC CO., LTD. (KR) 2020-07-16 US disclosed