SCHEMBL14930467

SCHEMBL14930467

CCCCCCOc1ccc2cc(OCCCCCCOC(C)=O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PDE3B Q13370 2/20 0.53
▸ PDE3A Q14432 2/20 0.53
▸ P2RY12 Q9H244 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ PLA2G4B P0C869 1/20 0.53
▸ NR5A1 Q13285 1/20 0.51
▸ MTNR1A P48039 1/20 0.51
▸ PLA2G2A P14555 1/20 0.50

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
SCHEMBL14926510 1.00 THRA (0.56) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926512 1.00 THRA (0.56) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926513 1.00 THRA (0.56) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926509 0.98 ALDH1A1 (0.58) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14930466 0.97 ALDH1A1 (0.60) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926508 0.95 THRA (0.55) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926511 0.94 PDE3B (0.53) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926504 0.94 THRA (0.53) THRAALDH1A1TP53TSHRPDE3B
SCHEMBL14926506 0.92 PDE3B (0.54) THRAALDH1A1PDE3BPDE3AP2RY12
SCHEMBL14930523 0.89 PDE3B (0.54) THRAALDH1A1PDE3BPDE3AP2RY12

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-20130116396-A1 POLYMER FOR USE IN LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2013-05-09 — — US disclosed
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