SCHEMBL5171995

SCHEMBL5171995

CC(C)Oc1ccc(SCCCCSc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5167450 0.93 ALDH1A1 (0.47) MAOAMAOBKMT2AGAAALDH1A1
SCHEMBL10345935 0.92 ALDH1A3 (0.45) ALDH1A3MAOAMAOBPOLBKMT2A
SCHEMBL7264666 0.91 MAOA (0.54) ALDH1A3MAOAMAOBPOLBKMT2A
SCHEMBL8425534 0.85 ALDH1A3 (0.40) ALDH1A3MAOAMAOBPOLBKMT2A
SCHEMBL2154579 0.85 HPGD (0.45) ALDH1A3MAOAMAOBPOLBKMT2A
SCHEMBL7050105 0.82 SLC6A4 (0.48) ALDH1A3MAOAPOLBKMT2ACYP1A2
SCHEMBL8405687 0.79 PLAU (0.39) POLBCYP1A2GAACYP2D6CYP2C19
SCHEMBL10345446 0.79 NPC1 (0.54) KMT2ACYP1A2GAACYP2C19ALDH1A1
SCHEMBL5167250 0.77 ALDH1A1 (0.56) MAOAMAOBKMT2AALDH1A1RAB9A
SCHEMBL23917765 0.76 PTGIR (0.51) ALDH1A3POLBKMT2ACYP1A2GAA

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-1195259-B1 Sheet for ink jet-recording OJI PAPER CO (JP) 2007-04-25 EP disclosed
US-6852378-B2 Sheet for ink jet-recording OJI PAPER CO., LTD. (JP) 2005-02-08 US disclosed
US-20040058099-A1 Sheet for ink jet-recording OJI PAPER CO., LTD. 2004-03-25 US disclosed
EP-1195259-A2 Sheet for ink jet-recording OJI PAPER CO., LTD. (JP) 2002-04-10 EP disclosed