SCHEMBL22856487

SCHEMBL22856487

CCCCOCCCOCCCNC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
TSHR P16473 4/20 0.48
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR1B P28222 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL681375 0.97 EPHX1 (0.55) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL13668221 0.95 EPHX1 (0.52) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL17974512 0.95 EPHX1 (0.52) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL2599824 0.90 EPHX1 (0.59) EPHX1TSHRALDH1A1HTR1BMAPT
SCHEMBL22856548 0.90 EPHX1 (0.46) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL23267783 0.88 EPHX1 (0.44) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL15511002 0.88 EPHX1 (0.64) EPHX1TSHRALDH1A1HTR1BMAPT
SCHEMBL8979942 0.88 EPHX1 (0.64) EPHX1TSHRALDH1A1HTR1BMAPT
SCHEMBL14051928 0.88 EPHX1 (0.64) EPHX1TSHRCYP3A4ALDH1A1HPGD
SCHEMBL13997666 0.88 EPHX1 (0.56) EPHX1TSHRCYP3A4ALDH1A1HTR1B

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
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed