SCHEMBL11776331

SCHEMBL11776331

CC1CCC(C(C)C)C(OCOC=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
P2RX4 Q99571 1/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 2/20 0.41
MAPT P10636 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TRPA1 O75762 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
NTSR1 P30989 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL10519642 0.86 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL869215 0.83 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL13697528 0.81 ALDH1A1 (0.59) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6139037 0.81 LMNA (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL15829156 0.80 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL9861200 0.80 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL6139402 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL8070812 0.79 ALDH1A1 (0.75) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL15958908 0.79 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL96535 0.78 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3996359-A ANTIINFLAMMATORY AB BOFORS (SW) 1976-12-07 US disclosed
US-3992534-A Compositions and method of treating with component B of stereoisomeric mixtures of 2'-unsymmetrical 16,17-methylenedioxy steriods AB BOFORS (SW) 1976-11-16 US disclosed
US-3983233-A ANTIINFLAMMATORY AB BOFORS (SW) 1976-09-28 US disclosed