SCHEMBL28847652

SCHEMBL28847652

CC(O)c1ccc(C(=O)c2ccc(C(C)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 4/20 0.50
ELANE P08246 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
SRD5A2 P31213 3/20 0.46
HTT P42858 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PKM P14618 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALPG P10696 1/20 0.42
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 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
SCHEMBL28587552 0.91 ALDH1A1 (0.58) ALDH1A1LMNAELANEMAPTHPGD
SCHEMBL891852 0.83 TSHR (0.57) ALDH1A1HPGDSRD5A2SMN1; SMN2
SCHEMBL17319344 0.83 MAPT (0.48) ALDH1A1LMNANOS3NOS1MAPT
SCHEMBL6911963 0.83 TSHR (0.57) ALDH1A1HPGDSRD5A2SMN1; SMN2
SCHEMBL2669716 0.83 CYP2C9 (0.44) ALDH1A1LMNANOS3NOS1HTT
SCHEMBL1262317 0.83 MAPT (0.48) ALDH1A1LMNANOS3NOS1MAPT
SCHEMBL6912492 0.83 TSHR (0.57) ALDH1A1HPGDSRD5A2SMN1; SMN2
SCHEMBL1148332 0.82 CNR1 (0.58) ALDH1A1LMNAELANEMAPTHPGD
SCHEMBL12600654 0.81 PARP10 (0.53) ALDH1A1NOS3NOS1MAPTHTT
SCHEMBL2422833 0.81 PARP10 (0.53) ALDH1A1NOS3NOS1MAPTHTT

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-114089599-A Metal nanoparticle-based photoresist composition and application thereof 中国科学院理化技术研究所 2022-02-25 CN claimed
CN-114089599-A Metal nanoparticle-based photoresist composition and application thereof 中国科学院理化技术研究所 2022-02-25 CN disclosed