SCHEMBL29034760

SCHEMBL29034760

C=CCCC(=O)Oc1ccc(C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 2/20 0.41
PTGS1 P23219 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL11336269 0.82 KMT2A (0.47) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL29034769 0.82 KMT2A (0.55) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL11425291 0.80 BCL9 (0.57) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL15567082 0.79 KMT2A (0.46) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL29034906 0.79 KMT2A (0.46) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL114036 0.78 PRSS1 (0.46) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL21994120 0.78 THRB (0.45) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL8171217 0.76 ESR1 (0.71) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL19163752 0.76 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL4596363 0.76 THRB (0.54) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA

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-116396185-B Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-08-18 CN claimed
CN-116396185-A Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-07-07 CN claimed
CN-116396185-B Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-08-18 CN disclosed
CN-116396185-A Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-07-07 CN disclosed