SCHEMBL8314428

SCHEMBL8314428

CSc1ccc(C=C2CCc3cc(OCCc4ncc[nH]4)ccc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP19A1 P11511 2/20 0.48
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
CYP26A1 O43174 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ABCB1 P08183 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL8310722 0.88 MIF (0.48) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8315680 0.88 MIF (0.56) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8313933 0.83 MIF (0.45) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8311413 0.83 MIF (0.44) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6173585 0.82 MIF (0.47) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6173580 0.82 MIF (0.47) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8310575 0.79 CYP24A1 (0.52) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8315233 0.78 MEN1 (0.41) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6173211 0.78 CYP19A1 (0.51) MIFMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6173213 0.78 CYP19A1 (0.51) MIFMAPTALDH1A1LMNASMN1; SMN2

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-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed