SCHEMBL23744997

SCHEMBL23744997

SC(S)C1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
SHBG P04278 1/20 0.41
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
MLNR O43193 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL7631066 1.00
SCHEMBL6917855 0.81
SCHEMBL3069318 0.79 EPHX1 (0.42) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL23137337 0.79 EPHX1 (0.42) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL3870816 0.79 EPHX1 (0.42) EPHX1SHBGTP53ALDH1A1HSD17B10
Iodide SCHEMBL2468422 0.76 EPHX1 (0.40) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL5575734 0.74 EPHX1 (0.43) EPHX1SHBGTP53ALDH1A1HSD17B10
SCHEMBL22626479 0.73 EPHX1 (0.44) EPHX1SHBGTP53LMNAKDM4E
SCHEMBL5680409 0.73
SCHEMBL9064120 0.73

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-20210246034-A1 METHOD AND APPARATUS FOR PRODUCING CARBON MONOXIDE TEKNOLOGIAN TUTKIMUSKESKUS VTT OY (FI) 2021-08-12 US disclosed