SCHEMBL11117598

SCHEMBL11117598

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.42
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.39
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 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
SCHEMBL15492445 0.93 ALDH1A1 (0.37) LIPAEPHX1EPHX2HSD11B1SMN1; SMN2
SCHEMBL538596 0.83 SMN1; SMN2 (0.49) EPHX1EPHX2SMN1; SMN2ALDH1A1MEN1
SCHEMBL3516359 0.75 HMGCR (0.46) LIPAEPHX1HSD11B1GLASMN1; SMN2
SCHEMBL9264525 0.74 LIPA (0.59) LIPAEPHX1EPHX2HSD11B1APOBEC3A
SCHEMBL9264522 0.74 LIPA (0.59) LIPAEPHX1EPHX2HSD11B1APOBEC3A
SCHEMBL19059482 0.71 TDP1 (0.39) LIPAHSD11B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL3518173 0.71 MEN1 (0.32) LIPASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20899828 0.71 HMGCR (0.32) LIPASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11452519 0.70 GLA (0.46) LIPAEPHX1EPHX2HSD11B1APOBEC3A
SCHEMBL1835031 0.70 GLA (0.46) LIPAEPHX1EPHX2HSD11B1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442012-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-04-10 US disclosed
US-4401583-A Enhancing or augmenting the aroma of detergents using 4-methyl-3-cyclohexene-1-carboxylic INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-08-30 US disclosed
US-4392976-A AND A CARBOCYCLIC KETONE OR POLYCYCLIC ETHER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-07-12 US disclosed
US-4390434-A Use of 4-methyl-3-cyclohexene-1-carboxylic acid for enhancing or augmenting the aroma of fabric softener compositions or drier-added articles INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1983-06-28 US disclosed