SCHEMBL29370459

SCHEMBL29370459

C=CCN(CC=C)C(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
CCR6 P51684 1/20 0.42
AKR1C3 P42330 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40

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
SCHEMBL21891711 1.00 ALDH1A1 (0.50) ALDH1A1ALOX15TP53HPGDKMT2A
SCHEMBL425509 0.93 TP53 (0.52) ALDH1A1TP53HPGDKMT2ACYP1A2
SCHEMBL9764454 0.84 KDM4E (0.46) ALDH1A1TP53HPGDCYP1A2SMN1; SMN2
SCHEMBL486061 0.82 TSHR (0.57) ALDH1A1TP53HPGDCYP1A2SMN1; SMN2
SCHEMBL10330497 0.81 TSHR (0.54) ALDH1A1TP53HPGDKMT2ASMN1; SMN2
SCHEMBL31517014 0.81 TSHR (0.54) ALDH1A1TP53HPGDKMT2ASMN1; SMN2
SCHEMBL10653703 0.81 CES2 (0.47) ALDH1A1ALOX15TP53HPGDKMT2A
SCHEMBL176484 0.79 TSHR (0.53) ALDH1A1HPGDKMT2ACYP1A2SMN1; SMN2
SCHEMBL8204818 0.78 ALDH1A1 (0.55) ALDH1A1ALOX15TP53HPGDKMT2A
SCHEMBL7200776 0.78 MAPT (0.59) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217412-A1 WASTE MITIGATION METHODS AND MATERIALS Finite Research Ltd (GB) 2023-08-02 EP disclosed
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
WO-2022023916-A1 WASTE MITIGATION METHODS AND MATERIALS LI, Zhenzhen (CN) 2022-02-03 WO disclosed