SCHEMBL30801427

SCHEMBL30801427

C[C@@H]1CCCC[C@H]1OC(=O)CCCCC(=O)O[C@@H]1CCCC[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
NAAA Q02083 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
PRKCA P17252 6/20 0.38
EPHX2 P34913 2/20 0.36
SLC18A3 Q16572 1/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL19148626 1.00 CYP19A1 (0.53) CYP19A1NAAASMN1; SMN2PRKCAEPHX2
SCHEMBL19148242 0.98 NAAA (0.53) CYP19A1NAAASMN1; SMN2PRKCAEPHX2
SCHEMBL19148262 0.96 CYP19A1 (0.49) CYP19A1NAAASMN1; SMN2PRKCAEPHX2
SCHEMBL19150294 0.96 CYP19A1 (0.53) CYP19A1NAAASMN1; SMN2PRKCAEPHX2
SCHEMBL19149280 0.94 CYP19A1 (0.51) CYP19A1NAAASMN1; SMN2PRKCAEPHX2
SCHEMBL19148244 0.92 CYP19A1 (0.49) CYP19A1NAAASMN1; SMN2PRKCASLC18A3
SCHEMBL12995075 0.92 NAAA (0.66) CYP19A1NAAAPRKCALMNA
SCHEMBL18334321 0.87 CYP19A1 (0.51) CYP19A1NAAAPRKCASLC18A3EPHX1
SCHEMBL31459830 0.87 CYP19A1 (0.51) CYP19A1NAAAPRKCASLC18A3EPHX1
SCHEMBL9109220 0.84 NAAA (0.56) CYP19A1NAAAKMT2ALMNA

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-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed