SCHEMBL6547753

SCHEMBL6547753

CCCc1c(C)cccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.48
LDHB P07195 1/20 0.48
HTR2A P28223 1/20 0.44
CALM1 P0DP23 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
IDH1 O75874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 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
SCHEMBL10598924 0.90 HTR2A (0.48) LDHALDHBHTR2ACALM1DRD2
SCHEMBL6545934 0.87 SLC5A1 (0.40) LDHALDHBCYP3A4CYP2D6TSHR
SCHEMBL6131259 0.87 HTT (0.41) LDHALDHBDRD2KDM4EALDH1A1
SCHEMBL8093946 0.87 HTR2A (0.46) LDHALDHBHTR2ACALM1DRD2
SCHEMBL6545944 0.87 TAAR1 (0.44) LDHALDHBKDM4EALDH1A1GAA
SCHEMBL9746190 0.85 TP53 (0.44) HTR2ACALM1DRD2DRD1DRD4
SCHEMBL9719201 0.84 IDH1 (0.47) HTR2ACALM1DRD2DRD1DRD4
SCHEMBL146769 0.84 IDH1 (0.47) HTR2ACALM1DRD2DRD1DRD4
SCHEMBL29532678 0.84 IDH1 (0.47) HTR2ACALM1DRD2DRD1DRD4
SCHEMBL9839949 0.82 NOS2 (0.42) LDHALDHBKDM4EALDH1A1GAA

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