Benzaldehyde

Benzaldehyde

SCHEMBL27795209

Cc1ccc(C(=O)O)cc1C(=O)O.O=Cc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2A6 P11509 1/20 0.45
▸ TTR P02766 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CDC25A P30304 2/20 0.41
▸ CDC25B P30305 2/20 0.41
▸ HSD17B10 Q99714 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
Benzene SCHEMBL27546363 0.86 KDM4E (0.55) ALDH1A1KDM4ENR1H4TDP1ESR1
Styrene SCHEMBL27479469 0.86 ALDH1A1 (0.46) UNGALDH1A1KDM4ETTRNR1H4
SCHEMBL27546740 0.84 TSHR (0.47) ALDH1A1KDM4ENR1H4TDP1L3MBTL1
SCHEMBL69633 0.84 TSHR (0.53) ALDH1A1KDM4ENR1H4TDP1L3MBTL1
Biphenyl SCHEMBL27658037 0.83 KMO (0.53) ALDH1A1KDM4ENR1H4TSHRCDC25A
Naphthalene SCHEMBL27658434 0.83 KDM4E (0.53) ALDH1A1KDM4ENR1H4TDP1TSHR
Hydrochloric Acid SCHEMBL10448118 0.82 TSHR (0.52) ALDH1A1KDM4ENR1H4TDP1L3MBTL1
SCHEMBL11664352 0.82 TSHR (0.52) ALDH1A1KDM4ENR1H4TDP1L3MBTL1
Hydrochloric Acid SCHEMBL16610510 0.82 TSHR (0.52) ALDH1A1KDM4ENR1H4TDP1L3MBTL1
SCHEMBL28858438 0.82 TSHR (0.52) ALDH1A1KDM4ENR1H4TDP1L3MBTL1

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
CN-101874496-B Application of acyl hydrazone derivative as fungicide UNIV ZHEJIANG TECHNOLOGY 2013-04-24 — — CN disclosed
CN-101874496-A Application of acyl hydrazone derivative as fungicide UNIV ZHEJIANG TECHNOLOGY 2010-11-03 — — CN disclosed
Send feedback