SCHEMBL4002126

SCHEMBL4002126

COc1cc(CC(C)OC(=O)N2CCCCC2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL9800577 0.80 HPGD (0.52) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31644253 0.76 LDHA (0.42) TSHRKMT2AMEN1
SCHEMBL113064 0.75 LDHA (0.41) TSHRKMT2AMEN1LMNA
SCHEMBL28212340 0.75 LDHA (0.41) TSHRKMT2AMEN1LMNA
SCHEMBL28249125 0.74 KMT2A (0.56) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11767175 0.72 TRPV1 (0.51) ALDH1A1HPGD
SCHEMBL16965622 0.70 ALDH1A1 (0.38) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5680559 0.70 LDHA (0.49) KMT2AMEN1
SCHEMBL27797201 0.70 GPR119 (0.40) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13979987 0.69 NPC1 (0.52) TSHRALDH1A1KMT2AMEN1SMN1; SMN2

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
WO-2009074522-A1 PHOTORESIST COMPOSITIONS AND METHOD FOR MULTIPLE EXPOSURES WITH MULTIPLE LAYER RESIST SYSTEMS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-18 WO disclosed