SCHEMBL9632904

SCHEMBL9632904

CC(C)=CCC[C@H](C)CCI

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NFE2L2 Q16236 1/20 0.39
GGPS1 O95749 2/20 0.37
FDPS P14324 2/20 0.37

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
SCHEMBL9632911 1.00 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL9632030 0.87 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL9632041 0.87 ALOX15 (0.59) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL8256070 0.86 ALOX15 (0.61) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL8652505 0.84 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL538858 0.84 ALOX15 (0.65) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL3117924 0.81 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL10520930 0.81 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL1200047 0.81 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1
SCHEMBL10520940 0.81 ALOX15 (0.68) ALOX15ALDH1A1TSHRUSP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402461-B Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2023-02-03 CN claimed
CN-113402461-A Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2021-09-17 CN claimed
CN-113402461-B Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2023-02-03 CN disclosed
CN-113402461-A Method for preparing guaiazupyridine type sesquiterpene alkaloid 中国科学院新疆理化技术研究所 2021-09-17 CN disclosed
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