SCHEMBL24176155

SCHEMBL24176155

CCCCCCNC(=O)N1CC(C)N(C(=O)NCCCCCC)CC1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 8/20 0.50
▸ NAMPT P43490 2/20 0.48
▸ ASAH1 Q13510 1/20 0.48
▸ NAAA Q02083 1/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PRCP P42785 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
SCHEMBL30768 0.91 KDM4E (0.43) EPHX1NAMPTASAH1PKM
SCHEMBL23123543 0.87 PKM (0.42) EPHX1NAMPTASAH1NAAACASP2
SCHEMBL16573503 0.85 PKM (0.39) EPHX1NAMPTASAH1PKM
SCHEMBL5217491 0.79 EPHX1 (0.50) EPHX1NAMPTNAAAPRCP
SCHEMBL11192313 0.76 DPP4 (0.49) EPHX1NAMPTASAH1NAAAPRCP
SCHEMBL24176160 0.74 TDP1 (0.65) EPHX1NAMPTNAAACASP2
SCHEMBL10739485 0.74 TDP1 (0.65) EPHX1NAMPTNAAACASP2
SCHEMBL10739048 0.74 TDP1 (0.65) EPHX1NAMPTNAAACASP2
SCHEMBL4285086 0.74 TDP1 (0.65) EPHX1NAMPTNAAACASP2
SCHEMBL28273729 0.74 TDP1 (0.65) EPHX1NAMPTNAAACASP2

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
US-20230272148-A1 THERMOPLASTIC POLY(URETHANE-UREA) POLYADDUCTS TECHNISCHE UNIVERSITAET WIEN (AT) 2023-08-31 — — US disclosed
US-20230272148-A1 THERMOPLASTIC POLY(URETHANE-UREA) POLYADDUCTS TECHNISCHE UNIVERSITAET WIEN (AT) 2023-08-31 — — US disclosed
WO-2022003204-A1 THERMOPLASTIC POLY(URETHANE-UREA) POLYADDUCTS TECHNISCHE UNIVERSITÄT WIEN (AT) 2022-01-06 — — WO disclosed
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