SCHEMBL13652839

SCHEMBL13652839

CCC(CC)(c1ccccc1)c1cc(C(C)(C)CC(C)(C)C)cc(-n2n3c4ccccc4n23)c1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SHBG P04278 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL2612597 0.87 SHBG (0.36) CYP3A4CYP2C9ALDH1A1ALOX15HIF1A
SCHEMBL13652823 0.82 ESR1 (0.36) CYP3A4CYP2C9ALDH1A1SHBGCYP1A2
SCHEMBL13652815 0.81 CYP3A4 (0.34) CYP3A4CYP2C9ALDH1A1CYP1A2TSHR
SCHEMBL9002299 0.80 MAPK1 (0.34) CYP3A4CYP2C9ALDH1A1CYP1A2TSHR
SCHEMBL10031633 0.79 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1ALOX15HIF1A
SCHEMBL12774894 0.79 TSHR (0.41) CYP3A4CYP2C9ALDH1A1ALOX15CYP1A2
SCHEMBL13652825 0.78 SMN1; SMN2 (0.35) CYP3A4ALDH1A1SHBG
SCHEMBL2608675 0.78 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1ALOX15HIF1A
SCHEMBL2612596 0.78 CYP3A4 (0.40) CYP3A4CYP2C9ALDH1A1ALOX15HIF1A
SCHEMBL13652822 0.77 ACSS2 (0.37) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246416-A1 OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 — — US disclosed
Send feedback