SCHEMBL6759541

SCHEMBL6759541

CCCCC(CC)COc1c(C)c(C(=O)O)c(-n2c3ccccc3c3ccccc32)c(C)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 3/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ AGTR1 P30556 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ OXER1 Q8TDS5 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34

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
SCHEMBL6762046 0.72 ALDH1A1 (0.44) ALDH1A1LMNAAGTR1HSD17B10TSHR
SCHEMBL23271727 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004274 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1401911 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29362343 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29281966 0.70 ALDH1A1 (0.59) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10316829 0.69 PTPN1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4652910 0.68 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL8207938 0.67 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL128501 0.67 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824892-B2 MAIN CHAIN OF PHENYLENE VINYLENE AND A SIDE CHAIN OF CARBAZOLE AND AN ALIPHATIC ALKYL OR ALKOXY GROUP SAMSUNG SDI CO., LTD. (KR) 2004-11-30 — — US disclosed
US-20020093005-A1 Electroluminescent polymer having good carrier transport balance and electroluminescent device using the same SAMSUNG SDI CO., LTD. 2002-07-18 — — US disclosed
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