SCHEMBL28544282

SCHEMBL28544282

CCCCC(N)CCC(N)CC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
OPRM1 P35372 1/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DNM1 Q05193 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8082830 0.94 OPRM1 (0.48) ALDH1A1TDP1S1PR2S1PR1S1PR3
SCHEMBL266196 0.94
SCHEMBL3819219 0.94
SCHEMBL2850854 0.94
Hydrochloric Acid SCHEMBL8682834 0.92 ALDH1A1 (0.46) ALDH1A1TDP1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL2867430 0.92
SCHEMBL28995305 0.90 PLA2G1B (0.54) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8082847 0.90 PLA2G1B (0.54) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL29190872 0.90 PLA2G1B (0.54) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8931536 0.90 PLA2G1B (0.54) ALDH1A1S1PR2S1PR1S1PR3S1PR4

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-112601778-A Resin material, laminated structure, and multilayer printed wiring board 积水化学工业株式会社 2021-04-02 CN disclosed