SCHEMBL19998369

SCHEMBL19998369

CC(C)(C)c1ccc(OC(=O)Oc2ccc(Cc3ccc(OC(=O)Oc4ccc(C5(c6ccc(OC(=O)Oc7ccc(C(C)(C)C)cc7)cc6)CCCCC5)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.49
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ ELANE P08246 1/20 0.44
▸ FAAH O00519 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL17298988 0.92 ADORA3 (0.52) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17298987 0.89 ADORA3 (0.47) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10249583 0.88 ADORA3 (0.49) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL14357625 0.87 ADORA3 (0.48) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL16775316 0.87 ADORA3 (0.48) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL16405351 0.86 ADORA3 (0.49) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12242734 0.85 ELANE (0.49) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17792236 0.82 MAPT (0.65) ADORA3RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL16311929 0.81 MAPT (0.48) ADORA3MAPTSMN1; SMN2FAAHTP53
SCHEMBL16576512 0.81 ADORA3 (0.43) ADORA3RAB9ANPC1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180088475-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS FOR PRODUCING THE SAME, AND ELECTROPHOTOGRAPHIC DEVICE FUJI ELECTRIC CO., LTD. (JP) 2018-03-29 — — US disclosed
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