SCHEMBL10903589

SCHEMBL10903589

C=CC(=O)N(CCCC(=O)O)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC4 O15439 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ SLC22A6 Q4U2R8 2/20 0.36
▸ PHF8 Q9UPP1 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ TSHR P16473 4/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ EPHX2 P34913 4/20 0.34
▸ PPARG P37231 5/20 0.33
▸ PPARD Q03181 5/20 0.33
▸ PPARA Q07869 5/20 0.33
▸ HDAC11 Q96DB2 4/20 0.33
▸ GPR84 Q9NQS5 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TLR2 O60603 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ FABP4 P15090 2/20 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
SCHEMBL28206312 0.81 EPHX2 (0.42) ABCC4MAPTLMNASLC22A6PHF8
SCHEMBL3278967 0.81 ZDHHC20 (0.44) TSHREPHX2ALDH1A1MEN1KMT2A
SCHEMBL24089401 0.78 MAPT (0.36) MAPTTSHRALDH1A1
SCHEMBL17049103 0.78 ZDHHC20 (0.53) TSHREPHX2MEN1KMT2A
SCHEMBL10905757 0.77 AKR1B1 (0.46) SLC22A6PHF8KDM2ATSHRAKR1B1
SCHEMBL10903601 0.77 CAMK2A (0.44) LMNASLC22A6PHF8KDM2ATSHR
SCHEMBL137211 0.76 ZDHHC20 (0.39) TSHRALDH1A1
SCHEMBL10903599 0.76 LMNA (0.42) LMNASLC22A6PHF8KDM2ATSHR
SCHEMBL18229077 0.76 EPHX2 (0.49) ABCC4MAPTLMNASLC22A6PHF8
SCHEMBL10903614 0.75 LMNA (0.40) LMNASLC22A6PHF8KDM2ATSHR

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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