SCHEMBL8380557

SCHEMBL8380557

O=C(C=Cc1ccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)NCCO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 6/20 0.59
NDUFS8 O00217 1/20 0.50
COXFA4 O00483 1/20 0.50
NDUFAB1 O14561 1/20 0.50
NDUFA1 O15239 1/20 0.50
NDUFS4 O43181 1/20 0.50
NDUFB5 O43674 1/20 0.50
NDUFB3 O43676 1/20 0.50
NDUFC1 O43677 1/20 0.50
NDUFA2 O43678 1/20 0.50
NDUFS5 O43920 1/20 0.50
NDUFS7 O75251 1/20 0.50
NDUFS2 O75306 1/20 0.50
NDUFS6 O75380 1/20 0.50
NDUFB1 O75438 1/20 0.50
NDUFS3 O75489 1/20 0.50
NDUFB6 O95139 1/20 0.50
NDUFA3 O95167 1/20 0.50

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
SCHEMBL8381018 0.82 PPARA (0.52) SMN1; SMN2RAB9AKMT2AHDAC3HDAC4
SCHEMBL8381015 0.82 PPARA (0.52) SMN1; SMN2RAB9AKMT2AHDAC3HDAC4
SCHEMBL449625 0.81 LMNA (0.66) SMN1; SMN2RAB9AKMT2ANDUFS8COXFA4
SCHEMBL449626 0.81 LMNA (0.66) SMN1; SMN2RAB9AKMT2ANDUFS8COXFA4
SCHEMBL8380930 0.81 PPARA (0.51) SMN1; SMN2RAB9AKMT2AALDH1A1LMNA
SCHEMBL8380931 0.81 PPARA (0.51) SMN1; SMN2RAB9AKMT2AALDH1A1LMNA
Idrocilamide SCHEMBL1171234 0.78 KMT2A (0.77) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
Idrocilamide SCHEMBL1171237 0.78 KMT2A (0.77) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8383194 0.77 TAAR1 (0.52) RAB9AKMT2AGAAMEN1LMNA
SCHEMBL20662824 0.74 CYP1A2 (0.69) SMN1; SMN2RAB9AKMT2AGAAMEN1

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-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 US disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 US disclosed