SCHEMBL7618448

SCHEMBL7618448

CC(C)=CCCC(C)=C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
ALOX15 P16050 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
UGT1A1 P22309 1/20 0.35
MAOB P27338 2/20 0.35
SQLE Q14534 1/20 0.34
PTGS1 P23219 2/20 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
SCHEMBL18462872 0.82 KMT2A (0.61) KMT2AALDH1A1KDM4EALOX15MEN1
SCHEMBL1305371 0.72 ALOX15 (0.38) KMT2AALDH1A1KDM4EALOX15MEN1
SCHEMBL1305609 0.72 ALOX15 (0.38) KMT2AALDH1A1KDM4EALOX15MEN1
SCHEMBL1305370 0.72 ALOX15 (0.38) KMT2AALDH1A1KDM4EALOX15MEN1
SCHEMBL7590241 0.67 KMT2A (0.42) KMT2AALDH1A1KDM4EATMALOX15
Myrcene SCHEMBL27703552 0.67 TSHR (0.65) KMT2AALDH1A1KDM4EATMALOX15
Ethylene SCHEMBL4702576 0.67 POLB (0.30) POLB
Squalene SCHEMBL3658690 0.66 KMT2A (0.59) KMT2AALDH1A1KDM4EALOX15MEN1
Squalene SCHEMBL3658689 0.66 KMT2A (0.59) KMT2AALDH1A1KDM4EALOX15MEN1
SCHEMBL120906 0.66 KMT2A (0.48) KMT2AALDH1A1KDM4EATMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448220-B1 EXHIBIT INTERESTING FRAGRANCE PROPERTIES OR ODOUR CHARACTERISTICS, GENERALLY ALDEHYDIC IN NATURE, AND SO MAY BE USED IN PERFUME QUEST INTERNATIONAL B.V. (NL) 2002-09-10 US claimed
US-6448220-B1 EXHIBIT INTERESTING FRAGRANCE PROPERTIES OR ODOUR CHARACTERISTICS, GENERALLY ALDEHYDIC IN NATURE, AND SO MAY BE USED IN PERFUME QUEST INTERNATIONAL B.V. (NL) 2002-09-10 US disclosed
US-6448220-B1 EXHIBIT INTERESTING FRAGRANCE PROPERTIES OR ODOUR CHARACTERISTICS, GENERALLY ALDEHYDIC IN NATURE, AND SO MAY BE USED IN PERFUME QUEST INTERNATIONAL B.V. (NL) 2002-09-10 US disclosed
EP-0967195-A1 Aldehydic ketones and their use in perfumes QUEST INTERNATIONAL B.V. (NL) 1999-12-29 EP disclosed
EP-0967195-A1 Aldehydic ketones and their use in perfumes QUEST INTERNATIONAL B.V. (NL) 1999-12-29 EP disclosed