SCHEMBL24909079

SCHEMBL24909079

CC(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)C)cc5)c5c6c(Oc7ccc(C(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)C)cc9)c(c2c45)c86)C(=O)N(C(C(=O)NC2CCCCC2)c2ccccc2)C7=O)C(=O)N(C(C(=O)NC2CCCCC2)c2ccccc2)C3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GPR88 Q9GZN0 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL24908947 0.83 LMNA (0.45) TSHRKMT2AMAPTPKMLMNA
SCHEMBL24908683 0.82 THRB (0.37) TSHRMAPTLMNAALDH1A1
SCHEMBL24909196 0.81 MAPK1 (0.41) TSHRCYP3A4CYP2C19KMT2AMAPT
SCHEMBL24909234 0.80 ALDH1A1 (0.42) TSHRCYP3A4CYP2C19KMT2AMAPT
SCHEMBL24705583 0.78 TSHR (0.33) TSHRCYP3A4CYP2C19KMT2AMAPT
SCHEMBL24909056 0.77 PDE4A (0.37) TSHRCYP3A4KMT2AMAPTPKM
SCHEMBL24908977 0.76 KMT2A (0.41) TSHRKMT2AALDH1A1
SCHEMBL24909100 0.75 GAA (0.37) TSHRCYP3A4CYP2C19KMT2ALMNA
SCHEMBL24909039 0.75 EPHX2 (0.40) TSHRKMT2ALMNANPSR1ALDH1A1
SCHEMBL24909279 0.74 KMT2A (0.40) TSHRKMT2AMAPTGAAALDH1A1

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-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed