SCHEMBL7608535

SCHEMBL7608535

COC(=O)Nc1cccc(C(O)(CN(Cc2ccccc2)C(Oc2ccccc2)C(C)O)c2cccc(NC(=O)OC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.38
UBE2M P61081 6/20 0.37
DCUN1D1 Q96GG9 6/20 0.37
NR3C1 P04150 1/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7610293 0.77 RAB9A (0.46) MEN1KMT2ANR3C1ALDH1A1RAB9A
SCHEMBL7768607 0.75 SMN1; SMN2 (0.44) MEN1KMT2ANR3C1ALDH1A1RAB9A
SCHEMBL7032860 0.74 SMN1; SMN2 (0.43) MEN1KMT2AUSP2UBE2MDCUN1D1
SCHEMBL7032501 0.72 ALDH1A1 (0.51) TSHRALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6027885 0.72 SMN1; SMN2 (0.46) TSHRMEN1KMT2AALDH1A1RAB9A
SCHEMBL6319157 0.69 SMN1; SMN2 (0.48) MEN1KMT2ANR3C1ALDH1A1RAB9A
SCHEMBL6319153 0.69 SMN1; SMN2 (0.48) MEN1KMT2ANR3C1ALDH1A1RAB9A
SCHEMBL7593750 0.69 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7028479 0.69 RXFP1 (0.42) MEN1KMT2AATMUSP2RAB9A
SCHEMBL7608531 0.68 ADRB1 (0.42) MEN1KMT2AALDH1A1

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed