SCHEMBL16576512

SCHEMBL16576512

COc1ccc(C2(c3ccc(OOC(=O)Oc4ccc(C5(c6ccc(OC(=O)Oc7ccc(C(C)(C)C)cc7)cc6)CCCCC5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ FAAH O00519 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 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
SCHEMBL15887455 0.91 ADORA3 (0.43) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL17298988 0.88 ADORA3 (0.52) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL15887447 0.86 MAPT (0.45) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL16775316 0.86 ADORA3 (0.48) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL16405351 0.84 ADORA3 (0.49) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL10249583 0.84 ADORA3 (0.49) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL14357625 0.83 ADORA3 (0.48) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL12021704 0.81 MAPT (0.47) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL19998369 0.81 ADORA3 (0.49) ADORA3MAPTRAB9ANPC1HTT
SCHEMBL12242734 0.81 ELANE (0.49) ADORA3MAPTRAB9ANPC1HTT

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-9069268-B2 Polyarylatecarbonate fluoropolymer containing photoconductors XEROX CORPORATION (US) 2015-06-30 — — US disclosed
US-20150079511-A1 POLYARYLATECARBONATE FLUOROPOLYMER CONTAINING PHOTOCONDUCTORS XEROX CORPORATION (US) 2015-03-19 — — US disclosed
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