SCHEMBL27706754

SCHEMBL27706754

COC1(N(C)C)C=CC(C(=O)c2ccccc2)=CC1.O=C(c1ccccc1)c1ccccc1NCC(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.38
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
NFKB1 P19838 1/20 0.33
TACR2 P21452 1/20 0.33
SLC6A2 P23975 1/20 0.33
TBXAS1 P24557 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
SCHEMBL5190192 0.82 RAB9A (0.41) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL14746862 0.75 ALDH1A1 (0.54) PPARGALDH1A1KMT2AMAPTHSD17B10
SCHEMBL10702673 0.69 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1CYP3A4MAPT
SCHEMBL9423170 0.68 TSHR (0.38) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL210845 0.67 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL27388643 0.67 KMT2A (0.51) PPARGALDH1A1KMT2A
SCHEMBL6274259 0.66 ALDH1A1 (0.46) PPARGALDH1A1KMT2AMEN1MAPT
SCHEMBL30538440 0.66 ALDH1A1 (0.46) PPARGALDH1A1KMT2AMEN1MAPT
SCHEMBL27954434 0.66 MAPK1 (0.38) ALDH1A1KMT2AMEN1LMNACYP3A4
SCHEMBL27903354 0.66 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1LMNACYP3A4

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
CN-101124516-A Pattern forming material, pattern forming apparatus, and pattern forming method FUJI FILM CORP (JP) 2008-02-13 CN disclosed