SCHEMBL9503429

SCHEMBL9503429

CC(C)OC(=O)[C@@H](C)Nc1ccc(F)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SLC2A1 P11166 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL7381961 1.00 TSHR (0.51) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL11249134 1.00 TSHR (0.51) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL4267988 0.88 TSHR (0.54) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL4267985 0.88 TSHR (0.54) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL4417046 0.87 LMNA (0.53) KDM4ELMNANPC1RAB9AHTT
SCHEMBL7227572 0.87 LMNA (0.53) KDM4ELMNANPC1RAB9AHTT
SCHEMBL7382317 0.87 RAB9A (0.43) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL7379752 0.84 TSHR (0.54) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL7379755 0.84 TSHR (0.54) TSHRKDM4ESMN1; SMN2LMNANPC1
SCHEMBL734962 0.82 TSHR (0.56) TSHRKDM4ESMN1; SMN2LMNANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1589101-A Herbicides containing substituted thien-3-ylsulfonylamino (thio) carbonyltriazolin (thi) one compounds BAYER CROPSCIENCE GMBH (DE) 2005-03-02 CN disclosed
EP-0333282-B1 PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED ALANINE HERBICIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-09 EP disclosed
EP-0333282-A1 Preparation of optically active N-substituted alanine herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-09-20 EP disclosed