SCHEMBL14600487

SCHEMBL14600487

COc1cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7c8ccccc8c(-c8c9ccccc9c(-c9ccc(-c%10ccccc%10)c(OC)c9)c9ccccc89)c8ccccc78)ccc5-6)ccc3-4)c3ccccc23)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.44
PDK2 Q15119 1/20 0.40
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP4B1 P13584 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2A7 P20853 1/20 0.37
CYP3A7 P24462 1/20 0.37
CYP2F1 P24903 1/20 0.37
CYP2C18 P33260 1/20 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
SCHEMBL10153618 0.96 PDK2 (0.43) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL10153251 0.84 KDM4E (0.39) ACACAPDK2LMNASMN1; SMN2ALDH1A1
SCHEMBL10153607 0.84 IDO1 (0.41) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL10153900 0.83 KDM4E (0.40) ACACAPDK2LMNASMN1; SMN2ALDH1A1
SCHEMBL10153471 0.83 KDM4E (0.40) ACACAPDK2LMNASMN1; SMN2ALDH1A1
SCHEMBL10153200 0.83 PDK2 (0.37) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL10153896 0.83 PDK2 (0.37) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL14600438 0.82 PDK2 (0.45) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL10154054 0.82 PDK2 (0.48) ACACAPDK2HPGDLMNASMN1; SMN2
SCHEMBL10153164 0.82 IDO1 (0.42) ACACAPDK2HPGDLMNASMN1; SMN2

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-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed