SCHEMBL3754764

SCHEMBL3754764

ClCC(C1CCCCC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
SHBG P04278 1/20 0.42
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL27773316 0.97 EPHX1 (0.52) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL9821330 0.75 EPHX1 (0.60) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL3885036 0.74 EPHX1 (0.40) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL7323638 0.74 EPHX1 (0.46) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL11703750 0.72 SHBG (0.44) EPHX1SHBGTP53LMNAMAPT
SCHEMBL14951097 0.72 TP53 (0.58) EPHX1SHBGTP53LMNAALDH1A1
SCHEMBL6518166 0.71 EPHX1 (0.55) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL3887311 0.71 EPHX1 (0.55) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL11003896 0.71 SHBG (0.62) EPHX1SHBGTP53LMNACYP2D6
SCHEMBL1323089 0.71 EPHX1 (0.55) EPHX1SHBGTP53LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817362-B1 Crosslinkable poly(oxyalkylene)-containing polyamide prepolymers NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20070244211-A1 Crosslinkable poly(oxyalkylene)-containing polyamide prepolymers NOVARTIS AG (CH) 2007-10-18 US claimed
EP-1817362-A1 CROSSLINKABLE POLY(OXYALKYLENE)-CONTAINING POLYAMIDE PREPOLYMERS Novartis AG (CH) 2007-08-15 EP claimed
WO-2006053777-A1 CROSSLINKABLE POLY(OXYALKYLENE)-CONTAINING POLYAMIDE PREPOLYMERS NOVARTIS AG (CH) 2006-05-26 WO claimed