SCHEMBL28401130

SCHEMBL28401130

Cc1cc(C)c(C(C)(C)CCO[Si](C)(C)C(C)(C)C)c(OC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28401129 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25751671 0.90 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28403806 0.87 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28403807 0.87 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20603082 0.85 FOLH1 (0.33) HPGDCYP2C9PPARGPPARA
SCHEMBL20603083 0.85 FOLH1 (0.33) HPGDCYP2C9PPARGPPARA
SCHEMBL20603097 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20603096 0.84 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18613472 0.81 MAPT (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28527043 0.79 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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
CN-111315872-A Compositions and methods for adoptive cell therapy of cancer 纪念斯隆-凯特林癌症中心 2020-06-19 CN disclosed
CN-111212849-A Compositions and methods for adoptive cell therapy of cancer 纪念斯隆-凯特林癌症中心 2020-05-29 CN disclosed