SCHEMBL31010347

SCHEMBL31010347

CC(NCCCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SIGMAR1 Q99720 9/20 0.60
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
GGT1 P19440 1/20 0.56
EPHX2 P34913 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL17342294 1.00 KMT2A (0.61) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL11031008 0.93 SIGMAR1 (0.62) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL28702566 0.93 SIGMAR1 (0.62) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL2398120 0.89 KMT2A (0.66) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL2398115 0.89 KMT2A (0.66) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL950970 0.87 S1PR1 (0.61) KMT2ASIGMAR1MEN1TSHR
SCHEMBL950971 0.87 S1PR1 (0.61) KMT2ASIGMAR1MEN1TSHR
SCHEMBL10611156 0.87 CYP2D6 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL10766683 0.87 CYP2D6 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL10608616 0.87 CYP2D6 (0.58) KMT2ACYP2D6CYP2C9CYP2C19SIGMAR1

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
EP-4647435-A1 MODULATOR FOR PROMOTING BINDING OF BUTYROPHILIN 3A1/2A1 Unicet Biotech. LLC (CN) 2025-11-12 EP disclosed
WO-2024146629-A1 MODULATOR FOR PROMOTING BINDING OF BUTYROPHILIN 3A1/2A1 北京清辉联诺生物科技有限责任公司 2024-07-11 WO disclosed