Sugi Predict

Sugi Predict / Compounds / SCHEMBL11114922

SCHEMBL11114922

SCHEMBL11114922

C=C/C(C)=C/CCC(C)(C)OC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.38
▸ HIF1A Q16665 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL11114925 1.00 ALOX15 (0.38) ALOX15HIF1AEPAS1ALDH1A1TDP1
SCHEMBL28339945 0.80 BTN3A1 (0.40) ALOX15ALDH1A1TDP1TSHRLMNA
SCHEMBL1551734 0.79 GAA (0.38) ALOX15HIF1AEPAS1ALDH1A1LMNA
SCHEMBL1551733 0.79 GAA (0.38) ALOX15HIF1AEPAS1ALDH1A1LMNA
SCHEMBL9576614 0.79 ALOX15 (0.48) ALOX15HIF1AEPAS1ALDH1A1TDP1
SCHEMBL111319 0.77 ALOX15 (0.47) ALOX15HIF1AEPAS1ALDH1A1TSHR
SCHEMBL111320 0.77 ALOX15 (0.47) ALOX15HIF1AEPAS1ALDH1A1TSHR
SCHEMBL11767058 0.77 ALOX15 (0.47) ALOX15HIF1AEPAS1ALDH1A1TSHR
SCHEMBL11028561 0.73 ALOX15 (0.44) ALOX15HIF1AEPAS1
SCHEMBL11028563 0.73 ALOX15 (0.44) ALOX15HIF1AEPAS1

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-4467118-A PALLADIUM PHOSPHINE COMPLEX AND WEAK ACID GIVAUDAN CORPORATION (US) 1984-08-21 — — US disclosed
US-4467118-A PALLADIUM PHOSPHINE COMPLEX AND WEAK ACID GIVAUDAN CORPORATION (US) 1984-08-21 — — US disclosed