SCHEMBL26545868

SCHEMBL26545868

CC1=CCC(c2ccco2)=CC=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.33
KDM4E B2RXH2 7/20 0.33
HPGD P15428 4/20 0.33
POLB P06746 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 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
SCHEMBL21533809 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL28335842 0.69 POLB (0.35) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL13638238 0.66 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL1176634 0.65 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL7178077 0.62 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL23031136 0.61
SCHEMBL1799678 0.61 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL14319097 0.60
SCHEMBL28770584 0.60 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL14602504 0.60 MAPT (0.42) ALDH1A1KDM4EHPGDPOLBHSD17B10

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
EP-3722301-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-11-01 EP disclosed
EP-3725793-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-10-11 EP disclosed