SCHEMBL8697106

SCHEMBL8697106

O=C(CCl)OC(=O)CNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
ERCC1 P07992 3/20 0.41
ERCC4 Q92889 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
MITF O75030 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL20594029 0.91 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL2238017 0.83 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL11503418 0.82 ALDH1A1 (0.42) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL1705097 0.82 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL6308809 0.80 PKM (0.47) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL28554321 0.79 ALDH1A1 (0.45) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL26135537 0.79 ALDH1A1 (0.47) ALDH1A1MAPTRAB9ALMNAMEN1
Chloroacetic Acid SCHEMBL8697102 0.77 ABAT (0.47) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL8840792 0.77 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ALMNAMEN1
SCHEMBL658053 0.77 LMNA (0.54) ALDH1A1MAPTRAB9ALMNAMEN1

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-5767290-A PROTECTION OF AMINE BY A TOCOPHERYL RADICAL; MILD CONDITIONS FOR DEPROTECTING; SYNTHESIS OF OLIGOPEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5684132-A DEHYDROHALOGENATION OR DESULFATION AND AMINATION TO ADD TOCOPHEROL GROUPS BASF AKTIENGSELLSCHAFT (DE) 1997-11-04 US disclosed