SCHEMBL5345866

SCHEMBL5345866

CC(C)(Cl)CC(=O)c1ccc(Oc2ccc(C(=O)CC(C)(C)Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GAA P10253 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL28841617 0.81 MMP1 (0.59) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL11531068 0.79 ERCC5 (0.58) ALDH1A1SMN1; SMN2RAB9AERCC5FEN1
SCHEMBL11589244 0.79 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
Hydrochloric Acid SCHEMBL7011412 0.77 ALDH1A1 (0.55) ALDH1A1MAPTRAB9AHDAC3HDAC4
SCHEMBL4095875 0.76 ALDH1A1 (0.54) ALDH1A1MAPTRAB9AHDAC3HDAC4
SCHEMBL1446151 0.75 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL11052292 0.74 MAPT (0.58) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
Clofenoxyde SCHEMBL882741 0.74 GSK3B (0.61) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL16832130 0.74 MMP1 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL7902328 0.72 ALDH1A1 (0.62) ALDH1A1MAPTRAB9AHDAC3HDAC4

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
US-7169446-B2 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-30 US disclosed
US-20040252171-A1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2004-12-16 US disclosed