SCHEMBL28160102

SCHEMBL28160102

CCCCCCOC(=O)C(=CCF)CC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
NAAA Q02083 1/20 0.50
HCAR2 Q8TDS4 2/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
HTR2C P28335 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 6/20 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
SCHEMBL5143635 0.86 NAAA (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL22440066 0.85 NAAA (0.52) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL4990203 0.85 NAAA (0.52) TSHRNAAAHCAR2RAD52NPSR1
Ammonia Solution, Strong SCHEMBL27509345 0.83 TSHR (0.50) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2228697 0.82 NAAA (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL2228694 0.82 NAAA (0.57) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27672923 0.82 TSHR (0.49) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL7570462 0.81 NAAA (0.55) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL27872165 0.81 TSHR (0.47) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28258655 0.79 NAAA (0.53) 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-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