Sugi Predict

Sugi Predict / Compounds / SCHEMBL24201248

SCHEMBL24201248

SCHEMBL24201248

O=C(CC12CC3CC4CC(C1)C2(C4)C3)NCCOCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.45
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTP4A3 O75365 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24201339 1.00 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2PTP4A3MEN1
SCHEMBL24201251 0.88 EPHX2 (0.43) EPHX2ALDH1A1SMN1; SMN2PTP4A3
SCHEMBL24201351 0.88 EPHX2 (0.43) EPHX2ALDH1A1SMN1; SMN2PTP4A3
SCHEMBL24201206 0.86 ALDH1A1 (0.45) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL24201256 0.86 EPHX2 (0.41) EPHX2ALDH1A1SMN1; SMN2PTP4A3MEN1
SCHEMBL24201340 0.79 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2PTP4A3MEN1
SCHEMBL24201247 0.79 EPHX2 (0.62) EPHX2ALDH1A1SMN1; SMN2PTP4A3MEN1
SCHEMBL24201216 0.79 OPRK1 (0.32) —
SCHEMBL17457691 0.78 ALDH1A1 (0.61) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL24201335 0.76 ALDH1A1 (0.59) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-3618833-B1 TRIPARTITE ANDROGEN RECEPTOR ELIMINATORS, METHODS AND USES THEREOF SPG THERAPEUTICS INC (US) 2022-01-19 — — EP disclosed