SCHEMBL27519675

SCHEMBL27519675

O=C(O)CCCc1c[nH]c2ccc(Br)c(Cl)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.47
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
MPO P05164 4/20 0.39
SLC6A4 P31645 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
DNMT1 P26358 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GFER P55789 1/20 0.36

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
SCHEMBL31173808 1.00 GPR17 (0.47) GPR17CYP2C19HPGDMPOSLC6A4
SCHEMBL27498673 0.95 GPR17 (0.45) GPR17CYP2C19HPGDMPOSLC6A4
SCHEMBL7917193 0.92 GPR17 (0.56) GPR17CYP2C19HPGDMPOALDH1A1
SCHEMBL4609508 0.82 ALDH1A1 (0.55) GPR17CYP2C19HPGDALDH1A1MEN1
SCHEMBL28787476 0.81 ALDH1A1 (0.54) GPR17CYP2C19HPGDALDH1A1MEN1
SCHEMBL7128275 0.79 SLC6A4 (0.60) GPR17CYP2C19SLC6A4ALDH1A1MEN1
Myristic Acid SCHEMBL6570155 0.76 GPR84 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB
Palmitic Acid SCHEMBL433817 0.76 GPR84 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB
Octanoic Acid SCHEMBL432407 0.76 GPR84 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB
Nonanoate SCHEMBL27828762 0.76 GPR84 (0.41) ALDH1A1MEN1KMT2AMAPTTHRB

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
CN-119061107-A Color reagent, culture medium and application thereof in detection and/or identification of candida 郑州安图生物工程股份有限公司 2024-12-03 CN disclosed
CN-1215336-A Stable ester hydrolysis biocatalysts THERMOGEN INC (US) 1999-04-28 CN disclosed