SCHEMBL18643843

SCHEMBL18643843

CCOc1ccc2cc(CCCCOC(C)=O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE3B Q13370 3/20 0.46
▸ PDE3A Q14432 3/20 0.46
▸ P2RY12 Q9H244 3/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ PPARG P37231 1/20 0.41

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
SCHEMBL14930523 0.89 PDE3B (0.54) KDM4ELMNAMAPTPDE3BPDE3A
SCHEMBL19722617 0.84 LMNA (0.47) KDM4ENPC1LMNATP53CYP1A2
SCHEMBL14445681 0.82 HDAC1 (0.56) CYP1A2
SCHEMBL14930466 0.81 ALDH1A1 (0.60) TP53MAOAPDE3BPDE3AP2RY12
SCHEMBL14926506 0.80 PDE3B (0.54) MAOAPDE3BPDE3AP2RY12ALDH1A1
SCHEMBL14926509 0.80 ALDH1A1 (0.58) TP53MAOAPDE3BPDE3AP2RY12
SCHEMBL13422217 0.79 PPARA (0.48) ALDH1A1PPARGPPARA
SCHEMBL14926504 0.79 THRA (0.53) TP53MAOAPDE3BPDE3AP2RY12
SCHEMBL14926510 0.79 THRA (0.56) TP53MAOAPDE3BPDE3AP2RY12
SCHEMBL14926513 0.79 THRA (0.56) TP53MAOAPDE3BPDE3AP2RY12

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-2727947-B1 COPOLYMER, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2017-03-15 — — EP disclosed
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