SCHEMBL10549828

SCHEMBL10549828

O=C(OCC1C=CCCC1)C1C=CCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL11287067 0.85 TDP1 (0.34) USP2ALDH1A1ALOX15TDP1TP53
SCHEMBL15128324 0.83 ALDH1A1 (0.38) USP2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL27329585 0.81 TP53 (0.54) ALDH1A1TP53CYP3A4
SCHEMBL11681662 0.79 ALDH1A1 (0.44) USP2ALDH1A1ALOX15TDP1
SCHEMBL27853809 0.78 MAPK1 (0.35) ALDH1A1TDP1
SCHEMBL9657795 0.78 TP53 (0.37) USP2ALDH1A1ALOX15TDP1TP53
SCHEMBL11289199 0.78 USP2 (0.31) USP2ALDH1A1ALOX15TDP1
SCHEMBL9684043 0.78 TP53 (0.34) USP2ALDH1A1ALOX15TDP1TP53
SCHEMBL5706339 0.78 ALDH1A1 (0.46) USP2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL28413233 0.77 USP2 (0.36) USP2ALDH1A1ALOX15TDP1TP53

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
US-4849532-A Process for the preparation of a cycloaliphatic diepoxide DEGUSSA AKTIENGESELLSCHAFT (DE) 1989-07-18 — — US disclosed
Send feedback