Benzaldehyde

Benzaldehyde

SCHEMBL28630253

O=C(O)OCc1ccc(O)cc1.O=Cc1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
CA12 O43570 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
LMNA P02545 2/20 0.51
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
MIF P14174 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2A6 P11509 1/20 0.47
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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
SCHEMBL8209992 0.84 KMT2A (0.63) AKR1B10AKR1B1CA12CA4CA6
Phenol SCHEMBL12470185 0.80 LMNA (0.63) AKR1B10AKR1B1CA12CA4CA6
Benzaldehyde SCHEMBL27691871 0.80 ALDH5A1 (0.75) CA12CA4CA9CA14ALDH5A1
E1501 SCHEMBL11503249 0.78 ALDH1A1 (0.76) AKR1B10AKR1B1CA12CA4CA6
SCHEMBL30001820 0.78 ALDH1A1 (0.68) CA12CA9LMNAKMT2AALDH1A1
SCHEMBL78553 0.78 ALDH1A1 (0.68) CA12CA9LMNAKMT2AALDH1A1
4-Hydroxybenzaldehyde SCHEMBL17941246 0.78 ALDH5A1 (0.80) AKR1B10AKR1B1CA12CA4CA6
SCHEMBL31268615 0.77 KMT2A (0.71) LMNAKMT2AMEN1ALDH1A1TDP1
4-Hydroxybenzaldehyde SCHEMBL28611783 0.76 ALDH5A1 (0.57) AKR1B1CA12CA7CA9CA14
Hydrogen Sulfide SCHEMBL2021838 0.76 ALDH1A1 (0.65) CA12CA9LMNAKMT2AALDH1A1

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
CN-110305016-B One-step preparation of 4-hydroxybenzyl benzaldehyde carbonate QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-08-31 CN claimed
CN-110305016-B One-step preparation of 4-hydroxybenzyl benzaldehyde carbonate QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-110305016-B One-step preparation of 4-hydroxybenzyl benzaldehyde carbonate QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-110305016-B One-step preparation of 4-hydroxybenzyl benzaldehyde carbonate QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-08-31 CN disclosed