SCHEMBL28850249

SCHEMBL28850249

O=C(OOC(=O)[C@H]1CCCN1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
LMNA P02545 1/20 0.52
ELANE P08246 3/20 0.44
CHRNA7 P36544 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
DPP4 P27487 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
ANPEP P15144 1/20 0.40
CTSC P53634 1/20 0.40
SCN4A P35499 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL28789391 0.86 ELANE (0.48) F2LMNAELANECHRNA7CYP3A4
SCHEMBL383987 0.86 ELANE (0.48) F2LMNAELANECHRNA7CYP3A4
SCHEMBL21385077 0.85 ELANE (0.47) F2LMNAELANECHRNA7CYP3A4
SCHEMBL9807318 0.78 ELANE (0.46) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL20482162 0.77 ELANE (0.54) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL20482434 0.77 ELANE (0.54) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL168919 0.77 ELANE (0.54) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL5499660 0.77 KMT2A (0.49) ELANECYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL7432130 0.77 ALDH1A1 (0.52) LMNAELANECYP1A2CYP2C19HTR2C
SCHEMBL1287230 0.77 HTR2C (0.53) ELANECYP3A4CYP2D6CYP1A2CYP2C19

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-115103907-A Compositions and methods for enhancing immune activity 金橘生物科技公司 2022-09-23 CN disclosed