SCHEMBL1248748

SCHEMBL1248748

C=CCNC(=O)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 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
SCHEMBL5138597 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL17859667 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL17859666 0.85 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL252121 0.82 TSHR (0.56) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL8060600 0.82 TSHR (0.56) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL29988 0.79
SCHEMBL27267038 0.79 TSHR (0.48) SMN1; SMN2TSHRMAPTKMT2ANPSR1
SCHEMBL10906552 0.77 POLB (0.49) SMN1; SMN2TSHRMAPTNPSR1ALDH1A1
SCHEMBL6147435 0.77 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPTKMT2ANPSR1
Ammonia Solution, Strong SCHEMBL6395522 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897793-B2 Forming latanoprost; alkylation; reductive desulfurization INSTYTUT FARMACEUTYCZNY (PL) 2011-03-01 US disclosed
WO-2011016739-A2 NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2011-02-10 WO disclosed