SCHEMBL29335832

SCHEMBL29335832

O=C1CCC(=O)N1OC(=O)C1(C(=O)NCC2CCCCC2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.37
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SPHK1 Q9NYA1 4/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL16847449 0.80 ALDH1A1 (0.33) MGLL
SCHEMBL9002622 0.78 EPHX1 (0.45) EPHX1CA2CA12CA1MMP1
SCHEMBL26382062 0.76 MGLL (0.35) MGLL
SCHEMBL29335785 0.75 CYP2D6 (0.42) EPHX1CA2CA12CA1MMP1
SCHEMBL26382065 0.74 MGLL (0.35) MGLL
SCHEMBL17776325 0.73 MGLL (0.35) MGLL
SCHEMBL16847444 0.72 — —
SCHEMBL29335333 0.71 SMN1; SMN2 (0.41) EPHX1NPC1RAB9AKMT2APOLB
SCHEMBL20362395 0.70 MGLL (0.33) MGLL
SCHEMBL19666091 0.70 MGLL (0.37) RAB9ASPHK1MGLL

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
WO-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 — — WO disclosed
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