SCHEMBL29034757

SCHEMBL29034757

COc1ccc(CCCOC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.56
ALOX5 P09917 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TNKS2 Q9H2K2 1/20 0.54
F2RL1 P55085 1/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
IGF1R P08069 1/20 0.50
ALOX15 P16050 1/20 0.50
NAAA Q02083 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15809483 0.95 CALM1 (0.54) CALM1ALOX5SMN1; SMN2TNKS2F2RL1
SCHEMBL3815839 0.89 SMN1; SMN2 (0.62) CALM1ALOX5SMN1; SMN2F2RL1NPC1
SCHEMBL9204152 0.86 LMNA (0.48) SMN1; SMN2TNKS2NPC1MAPTRAB9A
SCHEMBL20610758 0.86 F2RL1 (0.62) CALM1ALOX5SMN1; SMN2F2RL1NPC1
SCHEMBL28028229 0.84 POLB (0.52) CALM1ALOX5SMN1; SMN2F2RL1NPC1
SCHEMBL9608686 0.83 CALM1 (0.53) CALM1ALOX5SMN1; SMN2F2RL1NPC1
SCHEMBL24731345 0.82 MTNR1A (0.57) SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL16672630 0.82 CTDSP1 (0.55) SMN1; SMN2TNKS2NPC1RAB9AIGF1R
SCHEMBL25407818 0.81 TDP1 (0.51) CALM1SMN1; SMN2F2RL1NPC1MAPT
SCHEMBL28013657 0.81 THRB (0.56) CALM1ALOX5SMN1; SMN2F2RL1NPC1

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
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