SCHEMBL9978056

SCHEMBL9978056

CCCCCCCCC(CC)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4cc5c(cc4OC)C(C)(C)c4cc(O)c6c(Cl)cc(Cl)cc6c4-5)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
GCGR P47871 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37
ABCC1 P33527 2/20 0.35
KDM4E B2RXH2 2/20 0.34
F10 P00742 1/20 0.33
TP53 P04637 1/20 0.33
ABCB1 P08183 1/20 0.33
MCHR1 Q99705 6/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL2013699 0.83 ABCC1 (0.34) ABCC1KDM4EF10MCHR1ALDH1A1
SCHEMBL21173509 0.68 TP53 (0.34) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL1331968 0.67
SCHEMBL1812485 0.60 POLB (0.45) MEN1KMT2A
SCHEMBL23031606 0.59 NR1I2 (0.54) ALDH1A1NPC1RAB9AMAPT
SCHEMBL25653989 0.59 NR1I2 (0.54) ALDH1A1NPC1RAB9AMAPT
SCHEMBL26728740 0.58 BDKRB2 (0.54) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4438590 0.57 KMT2A (0.52) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6926258 0.57 ABCC1 (0.76) ABCC1ABCB1MCHR1ALDH1A1MEN1
SCHEMBL8755920 0.56 PLK1 (0.57)

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
WO-2012082381-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed