SCHEMBL6547735

SCHEMBL6547735

CCC(CC)(CC)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP2A6 P11509 3/20 0.43
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
KEAP1 Q14145 1/20 0.38
ACP3 P15309 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL6546530 0.88 ALDH1A1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL23090498 0.84 KDM4E (0.37) ALDH1A1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL2127614 0.83 ALDH1A1 (0.43) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6547270 0.81 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6684868 0.81 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6685691 0.79 CYP1A2 (0.40) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6684965 0.78 CYP1A2 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL18823301 0.78 CYP1A2 (0.40) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL2482276 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL24776438 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7089804-A None JP disclosed
CN-113201027-B Metal complex and application thereof 北京八亿时空液晶科技股份有限公司 2023-04-07 CN disclosed
CN-115724826-A Heterocyclic compound and application thereof 上海八亿时空先进材料有限公司 2023-03-03 CN disclosed
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
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-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
JP-H0789804-A SLIGHTLY SMELLING ANT-PREVENTING AGENT FOR TREATING WOOD JAPAN CARLIT CO LTD:THE 1995-04-04 JP disclosed