SCHEMBL10906138

SCHEMBL10906138

COC(=O)N(CCCC(=O)O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4C Q9H3R0 7/20 0.38
▸ KDM5A P29375 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ PHF8 Q9UPP1 4/20 0.36
▸ KDM2A Q9Y2K7 4/20 0.36
▸ KDM4A O75164 6/20 0.36
▸ KDM7A Q6ZMT4 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL4704005 0.80 TSHR (0.48) TSHRALDH1A1KDM4CKDM5ALMNA
SCHEMBL10903599 0.78 LMNA (0.42) TSHRALDH1A1LMNASLC22A6PHF8
SCHEMBL10906197 0.77 KDM4C (0.38) TSHRKDM4CKDM5ALMNASLC22A6
SCHEMBL10903614 0.76 LMNA (0.40) TSHRALDH1A1LMNASLC22A6PHF8
SCHEMBL10905757 0.74 AKR1B1 (0.46) TSHRALDH1A1KDM4CKDM5ASLC22A6
SCHEMBL4699893 0.74 TSHR (0.47) TSHRALDH1A1KDM4CKDM5ALMNA
SCHEMBL10903601 0.74 CAMK2A (0.44) TSHRKDM4CKDM5ALMNASLC22A6
SCHEMBL10903627 0.74 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL10907540 0.74 ALDH1A1 (0.36) TSHRALDH1A1KDM4CKDM5ALMNA
SCHEMBL10907490 0.73 LMNA (0.37) TSHRALDH1A1LMNASLC22A6PHF8

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
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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