SCHEMBL3227070

SCHEMBL3227070

C1CCCC(C(C2CCCCCCC2)C2CCCCCCC2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
SHBG P04278 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
GMNN O75496 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 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
SCHEMBL3224885 1.00 EPHX1 (0.45) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL723033 1.00 EPHX1 (0.45) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL3231723 1.00 EPHX1 (0.45) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL1317994 1.00 EPHX1 (0.45) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL3642818 1.00 EPHX1 (0.45) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL6250108 0.96 EPHX1 (0.43) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL3233675 0.96 EPHX1 (0.40) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL15911102 0.87 EPHX1 (0.33) EPHX1SHBGTP53
SCHEMBL3453340 0.82 EPHX1 (0.37) EPHX1SHBGALDH1A1HSD17B10TP53
SCHEMBL29011961 0.82 EPHX1 (0.37) EPHX1SHBGALDH1A1HSD17B10TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO claimed
WO-2010009752-A1 CURABLE SILICONE COMPOSITIONS COMPRISING CYCLO-ALKYLPHOSPHITES MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2010-01-28 WO disclosed