SCHEMBL4755042

SCHEMBL4755042

CCc1ccc(-c2ccc(-c3ccc(OC)cc3)c3nsnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL712732 0.88 PTGS2 (0.49) MAPTPTGS2SMN1; SMN2KDM4ECYP1A2
SCHEMBL32680869 0.81 PTGDR2 (0.46) ALDH1A1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL32680945 0.79 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL1623907 0.77 MAOB (0.61) ALDH1A1MAOBSMN1; SMN2LMNATP53
SCHEMBL17614860 0.77 MAOB (0.61) ALDH1A1MAOBSMN1; SMN2LMNATP53
SCHEMBL12075581 0.77 MAOB (0.44) ALDH1A1HPGDMAPTHSD17B10MAOB
SCHEMBL22238933 0.76 CASP3 (0.41) ALDH1A1HPGDMAPTMAOBSMN1; SMN2
SCHEMBL32680802 0.76 PTAFR (0.35) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL12393776 0.76 TDP1 (0.44) ALDH1A1HPGDMAPTHSD17B10PTGS2
SCHEMBL26775153 0.76 PTGS2 (0.36) ALDH1A1HPGDMAPTHSD17B10PTGS2

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-20120105783-A1 PATTERNED ELECTRONIC AND POLARIZATION OPTICAL DEVICES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2012-05-03 — — US disclosed
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