SCHEMBL28672017

SCHEMBL28672017

CCC(CC)(CC)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RIPK1 Q13546 1/20 0.47
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 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
Hydrochloric Acid SCHEMBL15101422 0.98 MAPT (0.52) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL9844619 0.88 IDO1 (0.43) HTTRAB9AMAPTCYP3A4KDM4E
Hydrochloric Acid SCHEMBL11110452 0.80 EPHX2 (0.45) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL6891746 0.80 RIPK1 (0.50) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL20686991 0.80 RIPK1 (0.50) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL22472089 0.78 RIPK1 (0.49) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL20163215 0.78 RIPK1 (0.49) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL9172119 0.77 HTT (0.75) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL23609052 0.77 RIPK1 (0.47) HTTRAB9AMAPTCYP3A4KDM4E
SCHEMBL1847644 0.77 RIPK1 (0.51) HTTRAB9AMAPTCYP3A4KDM4E

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-108148394-B Storage-stable one-component polyurethane prepregs from polyurethane compositions and moldings produced therefrom 赢创运营有限公司 2021-12-28 CN disclosed