SCHEMBL6548088

SCHEMBL6548088

CC(=Cc1ccc(C(C)C)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ PTGS1 P23219 5/20 0.42
▸ PTGS2 P35354 4/20 0.42
▸ NQO2 P16083 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GRIN2D O15399 1/20 0.39

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
SCHEMBL6546748 0.93 ESR1 (0.50) ESR1ESR2KDM4EMAPK1TYR
SCHEMBL10464493 0.84 ALDH1A1 (0.55) ESR1ESR2KDM4EMAPK1LMNA
SCHEMBL10464492 0.84 ALDH1A1 (0.55) ESR1ESR2KDM4EMAPK1LMNA
SCHEMBL10464490 0.84 ALDH1A1 (0.55) ESR1ESR2KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL10464725 0.83 ALDH1A1 (0.54) ESR1ESR2KDM4EMAPK1LMNA
Hydrochloric Acid SCHEMBL10464900 0.83 ALDH1A1 (0.54) ESR1ESR2KDM4EMAPK1LMNA
SCHEMBL726320 0.82 ESR1 (0.58) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL726321 0.82 ESR1 (0.58) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL1225178 0.82 ESR1 (0.58) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL8939242 0.81 ESR1 (0.53) ESR1ESR2PTGS1PTGS2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 — — EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 — — US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 — — EP disclosed
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