SCHEMBL28017672

SCHEMBL28017672

COC(OCc1ccccc1)C(C)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.38
AOC3 Q16853 1/20 0.37
AGXT P21549 1/20 0.36
MAOB P27338 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL23723780 0.81 RCE1 (0.50) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL16827022 0.81 RCE1 (0.53) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL21458529 0.81 RCE1 (0.53) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL6832301 0.80 CYP2D6 (0.48) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10744308 0.80 KMT2A (0.44) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL71045 0.79 TSHR (0.44) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7302690 0.78 TSHR (0.48) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL5503634 0.78 TSHR (0.48) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL23998026 0.78 TSHR (0.48) RCE1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7302683 0.78 TSHR (0.48) RCE1SLC1A3SLC1A2SLC1A1KMT2A

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-104610261-A Preparation method of ganciclovir intermediate HUBEI YITAI PHARMACEUTICAL CO LTD 2015-05-13 CN disclosed