SCHEMBL28246202

SCHEMBL28246202

C=CCNC(C)C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ ATM Q13315 1/20 0.30

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
SCHEMBL905194 0.78 — —
SCHEMBL253527 0.78 — —
SCHEMBL725364 0.78 — —
SCHEMBL28527050 0.77 ALDH1A1 (0.33) ALDH1A1KMT2A
Water SCHEMBL23295864 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL27489343 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRMAPTNPC1
Methane SCHEMBL8576129 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL4940686 0.77 SLC6A4 (0.38) ALDH1A1TSHRSLC6A4
SCHEMBL9365943 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10589733 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TSHRMAPTNPC1

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-108602810-A Su Woleisheng midbody compounds and preparation method thereof 浙江华海药业股份有限公司 2018-09-28 — — CN disclosed
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