SCHEMBL8084680

SCHEMBL8084680

CC[C@@H](C)COc1ccc(C(=O)Cl)cc1OC[C@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PDE4B Q07343 2/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
FFAR1 O14842 1/20 0.39
TLR8 Q9NR97 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL8086406 0.86 TSHR (0.56) MAPTTSHRALDH1A1MAPK1LMNA
SCHEMBL8086405 0.86 TSHR (0.56) MAPTTSHRALDH1A1MAPK1LMNA
SCHEMBL9202287 0.86 ALDH1A1 (0.51) MAPTTSHRALDH1A1PDE4BHIF1A
Hydrochloric Acid SCHEMBL8084681 0.85 TSHR (0.55) MAPTTSHRALDH1A1MAPK1LMNA
Hydrochloric Acid SCHEMBL8084683 0.85 TSHR (0.55) MAPTTSHRALDH1A1MAPK1LMNA
SCHEMBL184107 0.80 TSHR (0.60) TSHRALDH1A1MAPK1LMNAPOLB
SCHEMBL8420304 0.76 SMPD1 (0.52) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL12856555 0.76 MAPT (0.40) MAPTTSHRALDH1A1PDE4BHIF1A
SCHEMBL10614592 0.76 FFAR1 (0.51) MAPTLMNAPOLBFFAR1NPSR1
SCHEMBL5147675 0.75 TLR8 (0.45) MAPTALDH1A1PDE4BMAPK1PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed