SCHEMBL28580462

SCHEMBL28580462

CC(C)C(=O)NCCCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.51
SIGMAR1 Q99720 4/20 0.50
REN P00797 1/20 0.46
METAP2 P50579 1/20 0.46
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
RAD52 P43351 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9891794 0.89 SIGMAR1 (0.60) BCHESIGMAR1RENMETAP2NMT2
SCHEMBL24276406 0.87 SIGMAR1 (0.57) BCHESIGMAR1RENMETAP2NMT2
SCHEMBL10632207 0.87 REN (0.50) BCHESIGMAR1RENMETAP2NMT2
SCHEMBL10632213 0.87 REN (0.50) BCHESIGMAR1RENMETAP2NMT2
SCHEMBL8392716 0.80 KDM4E (0.50) BCHESIGMAR1EPHX1CYP1A2
SCHEMBL8392406 0.80 KDM4E (0.50) BCHESIGMAR1EPHX1CYP1A2
SCHEMBL27376223 0.80 REN (0.48) BCHESIGMAR1RENMETAP2NMT2
SCHEMBL11090 0.80 SIGMAR1 (0.49) BCHESIGMAR1RENEPHX1CYP1A2
SCHEMBL8396348 0.78 EPHX1 (0.49) BCHESIGMAR1EPHX1CYP1A2
SCHEMBL13581 0.78 EPHX1 (0.55) EPHX1CYP2D6KMT2ATSHR

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
CN-112912449-A Composition for forming hard coat layer, hard coat layer using same, and laminate comprising same 株式会社东进世美肯 2021-06-04 CN disclosed