SCHEMBL28065632

SCHEMBL28065632

O=COCCc1cccc(C=O)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
KCNH2 Q12809 3/20 0.33
TERT O14746 11/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR4 O95977 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
SCHEMBL12664449 0.83 KCNH2 (0.45) CCR1KCNH2TERTALDH1A1
SCHEMBL28072140 0.82 CCR1 (0.36) CCR1KCNH2TERTALDH1A1
SCHEMBL27600754 0.79 BACE1 (0.42) KCNH2
SCHEMBL27633950 0.79 SMN1; SMN2 (0.42) CCR1KCNH2ALDH1A1
SCHEMBL27777588 0.79 HTR7 (0.35) KCNH2
SCHEMBL7095200 0.77 KCNH2 (0.46) CCR1KCNH2TERTALDH1A1
SCHEMBL27927802 0.76 BRD4 (0.37) ALDH1A1
SCHEMBL24618696 0.75 DUT (0.34) TERT
SCHEMBL11818083 0.74 KCNH2 (0.66) CCR1KCNH2ALDH1A1
SCHEMBL7092724 0.74 KCNH2 (0.56) CCR1KCNH2

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
CN-103796992-B Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed