SCHEMBL21655243

SCHEMBL21655243

CCCCCCC/N=C(\C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NAAA Q02083 1/20 0.39
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 4/20 0.33
TSHR P16473 3/20 0.33
USP2 O75604 3/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
BCL2L1 Q07817 3/20 0.33
BAK1 Q16611 3/20 0.33
CYP3A4 P08684 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
SCHEMBL27866748 1.00 MEN1 (0.48) MEN1KMT2ANAAASIGMAR1LMNA
SCHEMBL30038765 1.00 MEN1 (0.48) MEN1KMT2ANAAASIGMAR1LMNA
SCHEMBL31374751 0.91 LMNA (0.39) MEN1KMT2ASIGMAR1LMNAHTT
SCHEMBL10034733 0.91 LMNA (0.39) MEN1KMT2ASIGMAR1LMNAHTT
SCHEMBL9950848 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL9950853 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL11892004 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL9952201 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL10022735 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4
SCHEMBL9952199 0.91 ALDH1A1 (0.36) MEN1KMT2ATSHRCYP1A2CYP3A4

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
EP-2097179-B1 MOLECULAR LAYER DEPOSITION PROCESS FOR MAKING ORGANIC OR ORGANIC-INORGANIC POLYMERS UNIV COLORADO REGENTS (US) 2020-01-29 EP disclosed