SCHEMBL6558633

SCHEMBL6558633

CC(C)Oc1ccccc1.CC(O)COC(C)CO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRB3 P13945 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
Diphenylether SCHEMBL27955268 0.87 LMNA (0.55) LMNARAB9AADRB2ADRB1CYP2D6
Anisole SCHEMBL6558911 0.85 LMNA (0.53) LMNACNR2KMT2AGAAALDH1A1
SCHEMBL11044096 0.85 LMNA (0.46) LMNACNR2NPC1RAB9AGAA
Propylene Glycol SCHEMBL6560419 0.84 LMNA (0.53) LMNACNR2NPC1RAB9AKMT2A
Diphenylether SCHEMBL1003254 0.84 LMNA (0.51) LMNARAB9AADRB2ADRB1CYP2D6
SCHEMBL872626 0.83 MTNR1A (0.47) LMNAGAAMTNR1AMTNR1BADRB2
SCHEMBL6559696 0.83 LMNA (0.64) LMNAKMT2AALDH1A1MEN1MTNR1A
Phenetole SCHEMBL6558954 0.83 LMNA (0.59) LMNACNR2NPC1RAB9AKMT2A
Benzene SCHEMBL27927807 0.82 TDP1 (0.47) LMNATDP1
SCHEMBL970565 0.81 MTNR1A (0.46) LMNAGAAMTNR1AMTNR1BADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed