SCHEMBL29180318

SCHEMBL29180318

CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCCCC)C(=O)O.CCCCCCCN

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 1/20 0.52
SMPD1 P17405 2/20 0.46
FDPS P14324 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44

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
SCHEMBL29180309 1.00 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28008977 1.00 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28284436 0.91 GPR84 (0.57) MEN1KMT2AALDH1A1TSHR
SCHEMBL989797 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL5408758 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL2706070 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL3242443 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL22092533 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL160169 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL8622832 0.89 CES2 (0.48) MEN1KMT2AALDH1A1TSHR

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-113166432-B Water-absorbent resin particles that are easily dehydrated and method for producing same 三洋化成工业株式会社 2024-04-02 CN disclosed