SCHEMBL28112968

SCHEMBL28112968

C=C(CF)C(=O)OCCCCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
NAAA Q02083 1/20 0.47
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HCAR2 Q8TDS4 2/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 3/20 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
SCHEMBL27548214 0.98 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL28113442 0.98 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9748345 0.94 TSHR (0.53) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27876308 0.86 TSHR (0.42) TSHRALDH1A1HCAR2HPGDLMNA
SCHEMBL374970 0.84 TSHR (0.66) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3788731 0.82 TSHR (0.63) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503795 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3627611 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503962 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375676 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1

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-106187287-B A kind of scattered template for preparing microchannel haydite and the method for preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2017-08-08 CN claimed
CN-106187287-A A kind of dispersion template preparing microchannel haydite and the method preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2016-12-07 CN claimed
CN-106187287-B A kind of scattered template for preparing microchannel haydite and the method for preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2017-08-08 CN disclosed
CN-106187287-A A kind of dispersion template preparing microchannel haydite and the method preparing microchannel haydite 陕西延长石油(集团)有限责任公司 2016-12-07 CN disclosed