SCHEMBL18092188

SCHEMBL18092188

CCC1(CC)CCC(c2cc(Br)c(OC)cc2N2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 6/20 0.37
ALDH1A1 P00352 6/20 0.37
POLB P06746 1/20 0.37
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6022068 0.85 AKR1C3 (0.40) MAPTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL27671019 0.81 RBP4 (0.44) MAPTLMNAALDH1A1POLBHTT
SCHEMBL5016701 0.77 TP53 (0.41) MAPTLMNAALDH1A1KDM4E
SCHEMBL27671027 0.76 HTR1A (0.42) MAPTSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL18092180 0.72 IDH1 (0.37) FFAR4
SCHEMBL18092178 0.72 IDH1 (0.37) FFAR4
SCHEMBL4253371 0.71 BACE1 (0.45) MAPTLMNA
SCHEMBL14064668 0.70 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL4852633 0.69 RET (0.42) MAPTLMNAALDH1A1
SCHEMBL18092194 0.68 RBP4 (0.44) MAPTSMN1; SMN2RXFP1LMNAALDH1A1

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
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed