SCHEMBL22877646

SCHEMBL22877646

CCC(O)OCCCCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 6/20 0.40
TSHR P16473 2/20 0.40
DNM1 Q05193 3/20 0.39
HTR1B P28222 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
PDE1A P54750 5/20 0.32
PDE1B Q01064 5/20 0.32
PDE1C Q14123 5/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL22503904 0.94 TSHR (0.39) KDM4EALDH1A1TSHRDNM1HTR1B
SCHEMBL7746583 0.85 TSHR (0.42) KDM4ETSHRDNM1SMN1; SMN2LMNA
SCHEMBL8137531 0.84 TSHR (0.50) ALDH1A1TSHRDNM1
SCHEMBL3677949 0.83 ALDH1A1 (0.40) KDM4EALDH1A1TSHRDNM1HTR1B
SCHEMBL1095934 0.78 DNM1 (0.45) ALDH1A1TSHRDNM1MEN1KMT2A
SCHEMBL9650374 0.78 DNM1 (0.38) KDM4EALDH1A1TSHRDNM1HTR1B
SCHEMBL23038765 0.76 DNM1 (0.48) TSHRDNM1MEN1KMT2A
SCHEMBL6021620 0.76 DNM1 (0.48) TSHRDNM1MEN1KMT2A
SCHEMBL4582497 0.76 DNM1 (0.48) TSHRDNM1MEN1KMT2A
SCHEMBL1095723 0.76 DNM1 (0.48) TSHRDNM1MEN1KMT2A

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-3760681-A1 CONDUCTIVE WIRING MATERIAL COMPOSITION, CONDUCTIVE WIRING SUBSTRATE AND METHOD FOR PRODUCING CONDUCTIVE WIRING SUBSTRATE Shin-Etsu Chemical Co., Ltd. (JP) 2021-01-06 EP disclosed