SCHEMBL14161002

SCHEMBL14161002

NNC(=O)c1ccc(OC2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ EPHX2 P34913 2/20 0.52
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL24653528 0.92 CA1 (0.58) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL6134346 0.86 HRH3 (0.68) HRH3
SCHEMBL21275528 0.85 PARP10 (0.58) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL18808856 0.84 PARP10 (0.57) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL22192684 0.83 NPC1 (0.61) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL19381892 0.82 PDE4A (0.62) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL11756847 0.82 CXCR4 (0.61) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL5640035 0.82 HRH3 (0.54) PARP10RAB9ASMN1; SMN2CA1CA2
SCHEMBL19381463 0.82 HRH3 (0.57) PARP10ALDH1A1LMNANPC1RAB9A
SCHEMBL19381882 0.81 PARP10 (0.90) PARP10ALDH1A1LMNANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456157-B 1-substituted benzoyl-4-fatty acyl semicarbazide derivatives, preparation method and application as antibacterial drugs 中国医学科学院药物研究所 2021-07-20 — — CN disclosed
US-20080130474-A1 Optical Recording Materials Having High Stroage Density SCHMIDHALTER BEAT 2008-06-05 — — US disclosed
US-20080130474-A1 Optical Recording Materials Having High Stroage Density SCHMIDHALTER BEAT 2008-06-05 — — US disclosed
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