Benzaldehyde

Benzaldehyde

SCHEMBL6981383

O=Cc1ccccc1.OC(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP2A6 P11509 1/20 0.64
LMNA P02545 3/20 0.45
ADRA2C P18825 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2D6 P10635 2/20 0.44
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
AOC3 Q16853 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Benzoin SCHEMBL6246515 0.84 LMNA (0.68) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Phenyl Ethanol SCHEMBL16224081 0.83 ALDH1A1 (0.58) ALDH1A1CYP2A6LMNAADRA2CKDM4E
Benzaldehyde SCHEMBL3851220 0.83 ALDH1A1 (0.58) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Benzaldehyde SCHEMBL28945328 0.83 ALDH1A1 (0.93) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Benzaldehyde SCHEMBL28324856 0.83 ALDH1A1 (0.93) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Benzaldehyde SCHEMBL4359974 0.81 ALDH1A1 (0.70) ALDH1A1CYP2A6LMNAMAPK1GLA
SCHEMBL6124173 0.80 ALDH1A1 (0.54) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Benzaldehyde SCHEMBL28351048 0.80 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNAKDM4ECYP2D6
Benzaldehyde SCHEMBL896024 0.80 ALDH1A1 (1.00) ALDH1A1CYP2A6LMNAMAPK1TSHR
SCHEMBL2889714 0.80 LMNA (0.62) ALDH1A1LMNAADRA2CKDM4EADRA2A

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-1285086-A2 METHOD FOR DETECTING A DETECTABLE PRODUCT Proteus (FR) 2003-02-26 EP disclosed
WO-2001092563-A2 METHOD FOR DETECTING A DETECTABLE PRODUCT PROTEUS (FR) 2001-12-06 WO disclosed