SCHEMBL9632041

SCHEMBL9632041

CC(C)=CCCC(C)CCCCI

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.59
ALDH1A1 P00352 2/20 0.59
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
NFE2L2 Q16236 1/20 0.35
LMNA P02545 1/20 0.34
PTPN1 P18031 1/20 0.34
GGPS1 O95749 2/20 0.34
FDPS P14324 2/20 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
SCHEMBL9632030 1.00 ALOX15 (0.59) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL9632911 0.87 ALOX15 (0.68) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL9632904 0.87 ALOX15 (0.68) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL29216408 0.82 ALOX15 (0.67) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3125002 0.82 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3108399 0.82 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL3108390 0.82 ALOX15 (0.61) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL9632588 0.82 ALOX15 (0.73) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL9632581 0.82 ALOX15 (0.73) ALOX15ALDH1A1USP2TDP1TSHR
SCHEMBL11041920 0.80 ALOX15 (0.59) ALOX15ALDH1A1USP2TDP1TSHR

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
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed