SCHEMBL8772595

SCHEMBL8772595

B.C=CCc1cc(NC(C)=O)ccc1OCC1(O)CN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
RORC P51449 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8772594 0.99 FDFT1 (0.39) FDFT1MAPTALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL8772602 0.86 FDFT1 (0.42) FDFT1MAPTALDH1A1MEN1KMT2A
SCHEMBL8772588 0.83 PTGDR (0.39) FDFT1MAPTALDH1A1KDM4EHPGD
SCHEMBL8422017 0.81 FDFT1 (0.39) FDFT1MAPTALDH1A1KDM4EMEN1
SCHEMBL8772603 0.80 FDFT1 (0.45) FDFT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8423284 0.80 FDFT1 (0.41) FDFT1ALDH1A1KDM4EGABRA1GABRB2
SCHEMBL8772687 0.80 FDFT1 (0.37) FDFT1MAPTALDH1A1KDM4EMEN1
SCHEMBL8772635 0.79 FDFT1 (0.46) FDFT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8772553 0.79 MEN1 (0.39) FDFT1MAPTALDH1A1KDM4EHPGD
SCHEMBL8772637 0.79 FDFT1 (0.38) FDFT1MAPTALDH1A1KDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 WO disclosed