SCHEMBL7735752

SCHEMBL7735752

COc1ccc2ccccc2c1CCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NCEH1 Q6PIU2 2/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL30726485 0.91 KMT2A (0.53) KMT2AMEN1NCEH1MAPTALDH1A1
SCHEMBL3406179 0.91 KMT2A (0.53) KMT2AMEN1NCEH1MAPTALDH1A1
SCHEMBL6637953 0.83 MTNR1A (0.60) CYP1A2CYP2C19ALDH1A1HPGDHSD17B10
SCHEMBL11000179 0.82 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1LMNA
Methane SCHEMBL8679956 0.81 ALDH1A1 (0.59) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL27329722 0.80 NCEH1 (0.62) KMT2AMEN1NCEH1MAPTPOLB
SCHEMBL7821071 0.80 HDAC1 (0.55) KMT2AMEN1NCEH1
Acetic Acid SCHEMBL30553976 0.80 SLC6A4 (0.55) KMT2AMEN1NCEH1MAPTALDH1A1
SCHEMBL29743344 0.79 SLC6A4 (0.51) KMT2AMEN1NCEH1MAPTPOLB
SCHEMBL9289234 0.79 NCEH1 (0.57) KMT2AMEN1NCEH1MAPTPOLB

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
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed