SCHEMBL6671933

SCHEMBL6671933

COC(=O)C(C)Oc1ccccc1CCCCl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.41
ADRB1 P08588 9/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 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
SCHEMBL6722904 0.85 KMT2A (0.49) KMT2AMTNR1AMTNR1BPOLB
SCHEMBL289668 0.76 ADRA2C (0.49) ADRB2ADRB1KMT2AHTR1A
SCHEMBL14092187 0.76 F9 (0.43) KMT2AMTNR1AMTNR1BPOLB
SCHEMBL11814669 0.75 PPARD (0.60) ADRB2KMT2AMTNR1AMTNR1BHTR1A
SCHEMBL5252625 0.74 ADRB2 (0.44) ADRB2ADRB1KMT2APOLBHTR1A
SCHEMBL28729952 0.74 KMT2A (0.56) KMT2APOLB
SCHEMBL6671931 0.74 ALDH1A1 (0.49) MTNR1AMTNR1B
SCHEMBL14092188 0.74 MTNR1A (0.41) KMT2AMTNR1AMTNR1BPOLB
SCHEMBL7745016 0.73 TAAR1 (0.60) MTNR1AMTNR1B
SCHEMBL14122594 0.73 F9 (0.43) KMT2APOLB

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
WO-2004035564-A1 PYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed