SCHEMBL30685282

SCHEMBL30685282

CC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
DHCR24 Q15392 11/20 0.54
THRB P10828 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CYP3A4 P08684 1/20 0.45
NR1I2 O75469 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL30778467 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL30266882 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28030593 0.90 DHCR24 (0.60) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL599030 0.90 DHCR24 (0.60) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL1237839 0.90 DHCR24 (0.60) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL30875104 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL29598705 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28030585 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28030582 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL29689186 0.87 MEN1 (0.74) ALDH1A1MEN1KMT2AUSP2MAPT

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-20240084214-A1 LIPID COMPRISING POLYUNSATURATED FATTY ACIDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-03-14 US disclosed
US-11834621-B2 Lipid comprising polyunsaturated fatty acids Nuseed Global Innovation Ltd. (GB) 2023-12-05 US disclosed