SCHEMBL28258433

SCHEMBL28258433

BC(CCCC)(C(=O)O)C1CCN(Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
MCHR1 Q99705 9/20 0.51
SIGMAR1 Q99720 2/20 0.51
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
KMT2A Q03164 2/20 0.47
CCR4 P51679 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL28258397 0.88 ABL1 (0.60) ACHESIGMAR1ABL1RIN1
SCHEMBL28256889 0.84 ALDH1A1 (0.53) ACHEMCHR1SIGMAR1ABL1RIN1
SCHEMBL28256920 0.84 ARG1 (0.56) MCHR1SIGMAR1ABL1RIN1KMT2A
SCHEMBL28256826 0.84 ARG1 (0.53) SIGMAR1ABL1RIN1KMT2AMEN1
SCHEMBL28258434 0.81 ACHE (0.52) ACHESIGMAR1ABL1RIN1KMT2A
SCHEMBL28256965 0.81 CCR3 (0.47) ABL1RIN1MEN1
Hydrochloric Acid SCHEMBL28258438 0.81 CHRM3 (0.47) KMT2AMEN1
Hydrochloric Acid SCHEMBL28256892 0.81 ABL1 (0.54) ACHESIGMAR1ABL1RIN1
Hydrochloric Acid SCHEMBL28256857 0.80 TSHR (0.50) ACHEABL1RIN1KMT2AMEN1
SCHEMBL28258405 0.78 ALDH1A1 (0.53) SIGMAR1KMT2AMEN1

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-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed