SCHEMBL22920864

SCHEMBL22920864

CC1(C)c2ccc(Cl)cc2-c2c1c1ccccc1c1c2oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.39
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
IDO1 P14902 2/20 0.33
PGR P06401 1/20 0.33
MAOA P21397 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33

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
SCHEMBL26842280 0.87 AHR (0.42) AHRKMT2AMEN1LMNAIDO1
SCHEMBL19107950 0.84 ALOX5 (0.35) KMT2AMEN1LMNAPGRMAOA
SCHEMBL21343398 0.81 AHR (0.38) AHRKMT2AMEN1POLBLMNA
SCHEMBL21343243 0.81 AHR (0.38) AHRKMT2AMEN1POLBLMNA
SCHEMBL19108129 0.81 PLA2G2A (0.33) PGRALK
SCHEMBL26838805 0.79 ALK (0.32) TNKSALK
SCHEMBL22243642 0.79 AHR (0.45) AHRKMT2AMEN1POLBMAPT
SCHEMBL31135763 0.79 AHR (0.49) AHRKMT2AMEN1POLBLMNA
SCHEMBL16745229 0.79 AHR (0.49) AHRKMT2AMEN1POLBLMNA
SCHEMBL20654781 0.79 AHR (0.49) AHRKMT2AMEN1POLBLMNA

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
WO-2021015555-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-01-28 WO disclosed