SCHEMBL10705306

SCHEMBL10705306

C=CCN(CC1CO1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
OXTR P30559 4/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AVPR1A P37288 3/20 0.38

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
SCHEMBL1934549 0.88 OXTR (0.53) OXTROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL176484 0.82 TSHR (0.53) TSHROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11160181 0.82 OXTR (0.53) OXTRMEN1KMT2AHDAC1HDAC6
SCHEMBL10509212 0.82 LSS (0.41) TSHROXTROPRM1OPRD1OPRK1
SCHEMBL11161706 0.82 TSHR (0.45) TSHROXTRALDH1A1HPGDMEN1
SCHEMBL9474105 0.80 TSHR (0.48) TSHROPRM1OPRD1OPRK1ALDH1A1
SCHEMBL335201 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL334951 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8711919 0.79 OXTR (0.50) OXTRAVPR1A
SCHEMBL11331453 0.78 ALDH1A1 (0.47) TSHRALDH1A1HPGDLMNAMEN1

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
EP-0094436-B1 N-GLYCIDYL-SUBSTITUTED AMIDE COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-03-30 EP disclosed
EP-0094436-A1 N-GLYCIDYL-SUBSTITUTED AMIDE COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1983-11-23 EP disclosed