SCHEMBL6316758

SCHEMBL6316758

O=C1C=C(C(=O)c2ccccc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRD5A2 P31213 1/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16404786 0.77 MEN1 (0.44) MAPTALDH1A1L3MBTL1TDP1LMNA
SCHEMBL8533642 0.73 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1ATMTDP1
SCHEMBL810175 0.72 HDAC4 (0.48) MAPTALDH1A1L3MBTL1ATMTDP1
SCHEMBL20686609 0.71 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1ATMTDP1
SCHEMBL6942981 0.71 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL28178057 0.71 ALDH1A1 (0.59) ALDH1A1L3MBTL1ATMTDP1SRD5A2
Benzophenone SCHEMBL27766299 0.70 ALDH1A1 (0.82) MAPTALDH1A1L3MBTL1ATMTDP1
SCHEMBL2081539 0.70 MT-CO2 (0.40) MAPTALDH1A1KMT2A
Benzophenone SCHEMBL30536983 0.67 ALDH1A1 (1.00) MAPTALDH1A1L3MBTL1ATMTDP1
Benzophenone SCHEMBL28491203 0.67 ALDH1A1 (1.00) MAPTALDH1A1L3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969697-B2 Substituted benzoylcyclohexenones BAYER AKTIENGESELLSCHAFT (DE) 2005-11-29 US claimed