SCHEMBL11044874

SCHEMBL11044874

[CH2]CCCCCC#CCCC#CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.43
HMGCR P04035 3/20 0.43
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
EPHX2 P34913 3/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3857022 0.97 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL313941 0.97 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL918335 0.97 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL7997996 0.97 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL11264016 0.97 PTPN7 (0.45) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL3857528 0.95 PTPN7 (0.41) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL9681594 0.92 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL3989043 0.92 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL3863209 0.92 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1RAB9A
SCHEMBL3868197 0.92 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1RAB9A

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-0040829-B1 ALKYNYL HALIDE COMPOUNDS AND ALKENYL ACETATE COMPOUNDS THEREFROM Shin-Etsu Chemical Co., Ltd. (JP) 1984-09-12 EP disclosed
US-3996270-A Intermediate for Gossyplure, the sex pheromone of the pink bollworm STORY CHEMICAL CORPORATION (US) 1976-12-07 US disclosed
US-3996270-A Intermediate for Gossyplure, the sex pheromone of the pink bollworm STORY CHEMICAL CORPORATION (US) 1976-12-07 US disclosed