SCHEMBL7480871

SCHEMBL7480871

O=C1C2CC2C(=O)N1CCCCCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 2/20 0.47
PABPC1 P11940 2/20 0.47
RGS12 O14924 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7483292 1.00 HTT (0.51) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL2768849 0.92 HTT (0.59) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL16039625 0.83 USP2 (0.44) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL7481753 0.80 PTGS1 (0.52) ALDH1A1KMT2AMEN1RAB9ARECQL
SCHEMBL7490240 0.80 PTGS1 (0.52) ALDH1A1KMT2AMEN1RAB9ARECQL
SCHEMBL7482405 0.80 PTGS1 (0.52) ALDH1A1KMT2AMEN1RAB9ARECQL
SCHEMBL7479037 0.80 MEN1 (0.47) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL22895251 0.78 USP2 (0.54) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL14191452 0.78 MEN1 (0.48) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL7485374 0.78 ALDH1A1 (0.46) HTTHSD17B10USP2TSHRALDH1A1

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
EP-0929522-B1 INSECT-REPELLENT FORMULATIONS PFIZER LTD (GB) 2002-12-18 EP disclosed
US-6130241-A Insect-repellent formulations PFIZER INC. (US) 2000-10-10 US disclosed