SCHEMBL11272508

SCHEMBL11272508

COC(CCl)Oc1ccccc1C[Si](C)(C)N(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ADRA2A P08913 5/20 0.34
ADRA2B P18089 5/20 0.34
ADRA2C P18825 5/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33
HTR1A P08908 3/20 0.32
NPC1 O15118 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10657484 0.75 TSPO (0.41) MEN1KMT2ACRHBPCRHR2NPC1
SCHEMBL11203608 0.74 ALDH1A1 (0.37) MEN1KMT2ATSHRNPC1POLB
SCHEMBL9857296 0.74 POLB (0.48) MEN1KMT2ATSHRNPC1POLB
SCHEMBL11142667 0.67 TP53 (0.48) KMT2AMAOBTSHRNPC1ALDH1A1
SCHEMBL27799360 0.67 TSHR (0.39) KMT2ATSHRNPC1ALDH1A1KDM4E
SCHEMBL73994 0.65 ALDH1A1 (0.61) KMT2AALDH1A1KDM4E
SCHEMBL29408436 0.65 ALDH1A1 (0.61) KMT2AALDH1A1KDM4E
SCHEMBL3072398 0.64 ADRA2A (0.36) ADRA2AADRA2BADRA2CTSHRHTR1A
SCHEMBL11509644 0.64 TSPO (0.43) MEN1KMT2ACRHBPCRHR2TSHR
SCHEMBL11506866 0.63 CA4 (0.41) CRHBPCRHR2TSHRPOLBALDH1A1

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
US-4360517-A INSECTICIDES, MITICIDES, AND NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1982-11-23 US claimed
US-4360517-A INSECTICIDES, MITICIDES, AND NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed