Sugi Predict

Sugi Predict / Compounds / SCHEMBL10798604

SCHEMBL10798604

SCHEMBL10798604

CCOB(OCC)[C@@H]1CCC[C@H]1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL10798601 1.00 GRIA4 (0.36) GRIA4MEN1KMT2AMAPTPKM
SCHEMBL4608515 0.75 MEN1 (0.42) GRIA4MEN1KMT2AHTR2C
SCHEMBL10489495 0.72 MEN1 (0.50) GRIA4MEN1KMT2AHTR2C
SCHEMBL4607348 0.72 GRIA4 (0.45) GRIA4MEN1KMT2AMAPTHTR2C
SCHEMBL9817367 0.72 MEN1 (0.50) GRIA4MEN1KMT2AHTR2C
SCHEMBL9817364 0.72 MEN1 (0.50) GRIA4MEN1KMT2AHTR2C
SCHEMBL324675 0.68 HTR2C (0.43) GRIA4MEN1KMT2AHTR2C
Ethane SCHEMBL27530005 0.66 MEN1 (0.61) GRIA4MEN1KMT2AHTR2C
SCHEMBL24927541 0.66 GRIA4 (0.46) GRIA4MEN1KMT2AHTR2C
SCHEMBL15800131 0.66 MAPT (0.65) MEN1KMT2AMAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4713380-A Production of optically pure organoboranes ALDRICH-BORANES, INC. (US) 1987-12-15 — — US disclosed
EP-0188235-A2 Production of optically pure organoboranes Aldrich Chemical Company, Inc. (US) 1986-07-23 — — EP disclosed