SCHEMBL12810378

SCHEMBL12810378

CC(C)Oc1ccc(C2(c3ccc(OC(=O)C(C)C(C)Oc4ccc(-c5ccc(OC(=O)C(C)C)cc5)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL13765230 0.89 ELANE (0.46) ELANEADORA3HPGDNPC1RAB9A
SCHEMBL18567241 0.81 ADORA3 (0.45) ADORA3HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18476724 0.80 ADORA3 (0.42) ELANEADORA3HPGDNPC1RAB9A
SCHEMBL14532269 0.78 ELANE (0.54) ELANEADORA3SMN1; SMN2ALDH1A1PPARA
SCHEMBL14781031 0.78 ESR1 (0.57) ELANEADORA3NPC1RAB9AKMT2A
SCHEMBL18945321 0.78 SLC6A4 (0.49) ELANEADORA3HPGDSMN1; SMN2KMT2A
SCHEMBL13764948 0.78 ELANE (0.59) ELANENPC1RAB9AACACBACACA
SCHEMBL18411203 0.77 ADORA3 (0.48) ELANEADORA3HPGDNPC1RAB9A
SCHEMBL16284135 0.76 CYP2C9 (0.43) ELANEADORA3HPGDNPC1RAB9A
SCHEMBL21785623 0.75 ADORA3 (0.54) ELANEADORA3NPC1RAB9AACACB

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
EP-1770447-B1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY MITSUBISHI CHEM CORP (JP) 2011-03-16 — — EP disclosed
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