SCHEMBL6546355

SCHEMBL6546355

CCCC(C)(CC)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ACP3 P15309 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ HTR1D P28221 1/20 0.33

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
SCHEMBL6547493 0.93 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6546981 0.90 HTR1B (0.37) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6547270 0.89 ALDH1A1 (0.41) ALDH1A1CYP2A6KDM4EHPGDCYP1A2
SCHEMBL2126064 0.83 CYP2A6 (0.40) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6546530 0.80 ALDH1A1 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL2127614 0.79 ALDH1A1 (0.43) ALDH1A1CYP2A6KDM4EHPGDCYP1A2
SCHEMBL24451605 0.79 ALDH1A1 (0.36) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL7192329 0.79 ALDH1A1 (0.38) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL6680536 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6KDM4ELMNAHPGD
SCHEMBL22672164 0.77 CYP2A6 (0.37) ALDH1A1CYP2A6KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 — — US claimed
EP-1018538-B1 REFRIGERATOR FLUID COMPOSITION NIPPON MITSUBISHI OIL CORP (JP) 2017-03-22 — — EP disclosed
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
CN-1099454-C Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2003-01-22 — — CN disclosed
CN-1260824-A Refrigerator oil composition and refrigerator fluid composition NIPPON OIL MITSUBISHI K K (JP) 2000-07-19 — — CN disclosed
EP-1018538-A1 REFRIGERATOR OIL COMPOSITION AND REFRIGERATOR FLUID COMPOSITION Nippon Mitsubishi Oil Corporation (JP) 2000-07-12 — — EP disclosed
EP-0989179-A1 Refrigerating machine oil Nippon Mitsubishi Oil Corporation (JP) 2000-03-29 — — 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-0481360-B1 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL IND (JP) 1997-01-15 — — EP 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
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 — — US disclosed
EP-0481360-A2 Process for producing alkyl-substituted aromatic hydrocarbon MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-04-22 — — EP disclosed
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