Propene

Propene

SCHEMBL28197909

C=C(CC)C(=O)OCCCCCC.C=CC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
NAAA Q02083 1/20 0.52
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 2/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 3/20 0.40

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
Butadiene SCHEMBL2353215 0.93 TSHR (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL3503962 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL26413 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL3476008 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL11803516 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL3503795 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL374874 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL375249 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL375676 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL3627611 0.93 TSHR (0.69) TSHRNAAAHCAR2RAD52NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105899634-B Adhesive composition 藤仓化成株式会社 2018-01-16 CN disclosed