SCHEMBL28081733

SCHEMBL28081733

Cc1ccccc1OC(=O)C1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.51
▸ PPARG P37231 1/20 0.46
▸ ELANE P08246 1/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GID4 Q8IVV7 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GHSR Q92847 1/20 0.38

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
SCHEMBL3835050 0.82 ELANE (0.43) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL29256404 0.81 ELANE (0.42) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL27780679 0.80 PPARG (0.51) PPARGMEN1KMT2AHPGD
SCHEMBL23356900 0.78 DPP4 (0.49) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL4447785 0.78 DPP4 (0.49) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL2016284 0.78 DPP4 (0.49) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL3499943 0.78 SMN1; SMN2 (0.44) ELANECYP2D6CYP1A2CYP2C19MEN1
SCHEMBL7978485 0.78 SMN1; SMN2 (0.44) ELANECYP2D6CYP1A2CYP2C19MEN1
Hydrochloric Acid SCHEMBL10521985 0.77 DPP4 (0.50) SCN4AELANECYP3A4CYP2D6CYP1A2
SCHEMBL8319368 0.76 PPARG (0.55) PPARGELANEMEN1KMT2AHPGD

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-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 — — CN disclosed
CN-105916500-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 欧洲筛选有限公司 2016-08-31 — — CN disclosed
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